4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one

C20H26N4O2 — CID 137248401

IUPAC4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NC3CCOC4(CCCC4)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C20H26N4O2/c1-13-14(2)22-18(24-19(13)25)15-5-6-17(21-12-15)23-16-7-10-26-20(11-16)8-3-4-9-20/h5-6,12,16H,3-4,7-11H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyINBALYYJHNLAHV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.35
Rot. Bonds3

About 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137248401) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137248401
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NC3CCOC4(CCCC4)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C20H26N4O2/c1-13-14(2)22-18(24-19(13)25)15-5-6-17(21-12-15)23-16-7-10-26-20(11-16)8-3-4-9-20/h5-6,12,16H,3-4,7-11H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyINBALYYJHNLAHV-UHFFFAOYSA-N
XLogP3.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269550
2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269920
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
2-[6-[2-(azepan-1-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263013
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 133377821
6-(6-oxaspiro[4.5]decan-9-ylamino)pyrazine-2-carboxamide
CID 133377773
N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
CID 137263125
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074
N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 137268111

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one (CID 137248401) is 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NC3CCOC4(CCCC4)C3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is INBALYYJHNLAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-14(2)22-18(24-19(13)25)15-5-6-17(21-12-15)23-16-7-10-26-20(11-16)8-3-4-9-20/h5-6,12,16H,3-4,7-11H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 354.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137248401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).