N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide

C17H22N6O — CID 157029708

IUPACN-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(-c2ccncn2)nc2c1CCC2
InChIInChI=1S/C17H22N6O/c1-17(2,3)23-14(24)9-19-15-11-5-4-6-12(11)21-16(22-15)13-7-8-18-10-20-13/h7-8,10H,4-6,9H2,1-3H3,(H,23,24)(H,19,21,22)
InChIKeySMSJXTDBQJJHBQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.75
Rot. Bonds4

About N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide (PubChem CID 157029708) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
PubChem CID157029708
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(-c2ccncn2)nc2c1CCC2
InChIInChI=1S/C17H22N6O/c1-17(2,3)23-14(24)9-19-15-11-5-4-6-12(11)21-16(22-15)13-7-8-18-10-20-13/h7-8,10H,4-6,9H2,1-3H3,(H,23,24)(H,19,21,22)
InChIKeySMSJXTDBQJJHBQ-UHFFFAOYSA-N
XLogP1.75
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide with MolForge

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Related Compounds

2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 157030147
4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63985247
N-tert-butyl-2-[(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]acetamide
CID 50957422
methyl 2,2,3-trimethyl-3-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
CID 133350088
4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid
CID 122058595
N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]acetamide;ethane
CID 157029570
N-tert-butyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]acetamide
CID 157029681
N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510
2-pyridin-2-yl-N-[(1S)-1-pyridin-4-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 124626058
N-tert-butyl-2-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]acetamide
CID 9024989
2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
CID 133400357
N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide
CID 115279391

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide (CID 157029708) is N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1nc(-c2ccncn2)nc2c1CCC2.
What is the InChIKey of N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is SMSJXTDBQJJHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-17(2,3)23-14(24)9-19-15-11-5-4-6-12(11)21-16(22-15)13-7-8-18-10-20-13/h7-8,10H,4-6,9H2,1-3H3,(H,23,24)(H,19,21,22).
What are the key properties of N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 157029708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).