cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide

C19H31N5O3 — CID 135914873

IUPACcis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)[C@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)n1
InChIInChI=1S/C19H31N5O3/c1-12-11-14(25)23-17(22-12)21-10-9-20-16(27)19(4)8-7-13(18(19,2)3)15(26)24(5)6/h11,13H,7-10H2,1-6H3,(H,20,27)(H2,21,22,23,25)/t13-,19-/m0/s1
InChIKeyZYRFFVOZHUONMS-DJJJIMSYSA-N
MW377.49 g/mol
LogP1.14
Rot. Bonds6

About cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide

cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide (PubChem CID 135914873) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
PubChem CID135914873
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Namecis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
SMILESCc1cc(=O)[nH]c(NCCNC(=O)[C@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)n1
InChIInChI=1S/C19H31N5O3/c1-12-11-14(25)23-17(22-12)21-10-9-20-16(27)19(4)8-7-13(18(19,2)3)15(26)24(5)6/h11,13H,7-10H2,1-6H3,(H,20,27)(H2,21,22,23,25)/t13-,19-/m0/s1
InChIKeyZYRFFVOZHUONMS-DJJJIMSYSA-N
XLogP1.14
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide with MolForge

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Related Compounds

N~3~,N~3~,1,2,2-pentamethyl-N~1~-{2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)amino]ethyl}-1,3-cyclopentanedicarboxamide
CID 136030024
trans-(1R,3S)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
CID 135914874
trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
CID 135914875
cis-(1S,3S)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
CID 135914876
2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide
CID 135963524
rac-(1R,3S)-N~3~-ethyl-1,2,2-trimethyl-N~1~-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide
CID 136998393
2-amino-4-[[[1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 137223496
trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide
CID 137273891
2-[4-(1-ethylcyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 138055464
3-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 145905426
(1R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide
CID 168453256

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide?
The IUPAC name of cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide (CID 135914873) is cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide.
What is the SMILES notation for cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide?
The canonical SMILES for cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide is Cc1cc(=O)[nH]c(NCCNC(=O)[C@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)n1.
What is the InChIKey of cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide?
The InChIKey is ZYRFFVOZHUONMS-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-12-11-14(25)23-17(22-12)21-10-9-20-16(27)19(4)8-7-13(18(19,2)3)15(26)24(5)6/h11,13H,7-10H2,1-6H3,(H,20,27)(H2,21,22,23,25)/t13-,19-/m0/s1.
What are the key properties of cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide?
cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 135914873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).