(1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

C16H23N5O — CID 133130743

IUPAC(1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCNc1nc(N2C[C@H]3CC[C@@H](C2)N(C)C3=O)nc2c1CCC2
InChIInChI=1S/C16H23N5O/c1-17-14-12-4-3-5-13(12)18-16(19-14)21-8-10-6-7-11(9-21)20(2)15(10)22/h10-11H,3-9H2,1-2H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyJMQMYNYHDGPTEP-MNOVXSKESA-N
MW301.39 g/mol
LogP1.06
Rot. Bonds2

About (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

(1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 133130743) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

Compound Name(1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
PubChem CID133130743
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESCNc1nc(N2C[C@H]3CC[C@@H](C2)N(C)C3=O)nc2c1CCC2
InChIInChI=1S/C16H23N5O/c1-17-14-12-4-3-5-13(12)18-16(19-14)21-8-10-6-7-11(9-21)20(2)15(10)22/h10-11H,3-9H2,1-2H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyJMQMYNYHDGPTEP-MNOVXSKESA-N
XLogP1.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one with MolForge

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]acetamide
CID 24791200
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 24818958
1-{[1-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methyl}pyrrolidin-2-one
CID 46988620
1-{[1-(2-amino-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-3-piperidinyl]methyl}-2-pyrrolidinone dihydrochloride
CID 56911504
1-{[1-(2-amino-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methyl}pyrrolidin-2-one
CID 56913427
2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72870314
2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 72904999
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-9-ethyl-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70707876
N~4~-isopropyl-7-[(4-methyl-4-piperidinyl)carbonyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine dihydrochloride
CID 56893140
1-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-1,4-diazepan-5-one
CID 56909951
(3S)-3-[(7-piperidin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl)amino]azepan-2-one
CID 95861433
(6S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132429

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The IUPAC name of (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 133130743) is (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one.
What is the SMILES notation for (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The canonical SMILES for (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is CNc1nc(N2C[C@H]3CC[C@@H](C2)N(C)C3=O)nc2c1CCC2.
What is the InChIKey of (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
The InChIKey is JMQMYNYHDGPTEP-MNOVXSKESA-N. The full InChI is InChI=1S/C16H23N5O/c1-17-14-12-4-3-5-13(12)18-16(19-14)21-8-10-6-7-11(9-21)20(2)15(10)22/h10-11H,3-9H2,1-2H3,(H,17,18,19)/t10-,11+/m1/s1.
What are the key properties of (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?
(1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 301.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-methyl-3-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 133130743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).