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

C14H20N4O — CID 135552946

IUPAC2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C14H20N4O/c15-14-17-11-10(8-16-12(11)13(19)18-14)7-9-5-3-1-2-4-6-9/h8-9,16H,1-7H2,(H3,15,17,18,19)
InChIKeyNUQBTQMVHRKTRO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.35
Rot. Bonds2

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

2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135552946) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135552946
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C14H20N4O/c15-14-17-11-10(8-16-12(11)13(19)18-14)7-9-5-3-1-2-4-6-9/h8-9,16H,1-7H2,(H3,15,17,18,19)
InChIKeyNUQBTQMVHRKTRO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Peldesine
CID 135413525
[5-(2-Amino-4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-1,1-Difluoropentyl]phosphonic Acid
CID 135566455
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
2-Amino-7-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 136036205
2-Amino-7-{[(1,3-dihydroxypropan-2-yl)amino]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135858780
3-((4-Hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-propanol
CID 135858789
9-[6'',6''-Difluoro-6''-(diethylphosphono)hexyl]-9-deazaguanine
CID 136066048
9-[7'',7''-Difluoro-7''-(diethylphosphono)heptyl]-9-deazaguanine
CID 136066049
2-Amino-7-(8-diethoxyphosphoryl-8,8-difluorooctyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136066050
2-Amino-7-(3-trifluoromethyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135400988
2-Amino-7-(3-methyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412717
2-Amino-7-(3-fluoro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412719

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135552946) is 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is NUQBTQMVHRKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-14-17-11-10(8-16-12(11)13(19)18-14)7-9-5-3-1-2-4-6-9/h8-9,16H,1-7H2,(H3,15,17,18,19).
What are the key properties of 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135552946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).