2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C14H20N4O — CID 135621414

IUPAC2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC1CCCC(Cc2c[nH]c3c(=O)[nH]c(N)nc23)C1
InChIInChI=1S/C14H20N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h7-9,16H,2-6H2,1H3,(H3,15,17,18,19)
InChIKeyYUGANDNTRSYZMH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.20
Rot. Bonds2

About 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135621414) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135621414
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC1CCCC(Cc2c[nH]c3c(=O)[nH]c(N)nc23)C1
InChIInChI=1S/C14H20N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h7-9,16H,2-6H2,1H3,(H3,15,17,18,19)
InChIKeyYUGANDNTRSYZMH-UHFFFAOYSA-N
XLogP2.20
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135621414) is 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is CC1CCCC(Cc2c[nH]c3c(=O)[nH]c(N)nc23)C1.
What is the InChIKey of 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is YUGANDNTRSYZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h7-9,16H,2-6H2,1H3,(H3,15,17,18,19).
What are the key properties of 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135621414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).