N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C17H27N5O — CID 70764655

IUPACN-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCNc1nc(N2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)nc2c1CCC2
InChIInChI=1S/C17H27N5O/c1-10(2)13-8-22(9-15(13)19-11(3)23)17-20-14-7-5-6-12(14)16(18-4)21-17/h10,13,15H,5-9H2,1-4H3,(H,19,23)(H,18,20,21)/t13-,15+/m0/s1
InChIKeyPYGYRFVOUSSXTM-DZGCQCFKSA-N
MW317.44 g/mol
LogP1.60
Rot. Bonds4

About N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 70764655) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID70764655
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCNc1nc(N2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)nc2c1CCC2
InChIInChI=1S/C17H27N5O/c1-10(2)13-8-22(9-15(13)19-11(3)23)17-20-14-7-5-6-12(14)16(18-4)21-17/h10,13,15H,5-9H2,1-4H3,(H,19,23)(H,18,20,21)/t13-,15+/m0/s1
InChIKeyPYGYRFVOUSSXTM-DZGCQCFKSA-N
XLogP1.60
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol
CID 95873941
4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol
CID 56750759
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172667393
N-[(3S,4R)-1-[5-(piperidine-1-carbonyl)-2-pyridinyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 133134622
(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97140262
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-ol
CID 50952268
[5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91777859
N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116633187
2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 56754443
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 70764655) is N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CNc1nc(N2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)nc2c1CCC2.
What is the InChIKey of N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is PYGYRFVOUSSXTM-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H27N5O/c1-10(2)13-8-22(9-15(13)19-11(3)23)17-20-14-7-5-6-12(14)16(18-4)21-17/h10,13,15H,5-9H2,1-4H3,(H,19,23)(H,18,20,21)/t13-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70764655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).