7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C18H25N3O2 — CID 129338200

IUPAC7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)C2
InChIInChI=1S/C18H25N3O2/c1-20-11-19-16-10-21(8-7-13(16)17(20)22)18(23)15-9-14(15)12-5-3-2-4-6-12/h11-12,14-15H,2-10H2,1H3/t14-,15+/m0/s1
InChIKeyUDCZJLCRLNISMC-LSDHHAIUSA-N
MW315.42 g/mol
LogP1.88
Rot. Bonds2

About 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 129338200) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID129338200
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)C2
InChIInChI=1S/C18H25N3O2/c1-20-11-19-16-10-21(8-7-13(16)17(20)22)18(23)15-9-14(15)12-5-3-2-4-6-12/h11-12,14-15H,2-10H2,1H3/t14-,15+/m0/s1
InChIKeyUDCZJLCRLNISMC-LSDHHAIUSA-N
XLogP1.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 129338200) is 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cn1cnc2c(c1=O)CCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)C2.
What is the InChIKey of 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UDCZJLCRLNISMC-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-11-19-16-10-21(8-7-13(16)17(20)22)18(23)15-9-14(15)12-5-3-2-4-6-12/h11-12,14-15H,2-10H2,1H3/t14-,15+/m0/s1.
What are the key properties of 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 315.42 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 129338200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).