2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C13H19N5O — CID 135987590

IUPAC2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3CCCCC3)c(N)[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H19N5O/c14-11-8(6-7-4-2-1-3-5-7)9-10(16-11)12(19)18-13(15)17-9/h7,16H,1-6,14H2,(H3,15,17,18,19)
InChIKeyGSXPTTGZKTYVMY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.54
Rot. Bonds2

About 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135987590) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135987590
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3CCCCC3)c(N)[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H19N5O/c14-11-8(6-7-4-2-1-3-5-7)9-10(16-11)12(19)18-13(15)17-9/h7,16H,1-6,14H2,(H3,15,17,18,19)
InChIKeyGSXPTTGZKTYVMY-UHFFFAOYSA-N
XLogP1.54
TPSA113.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-7-cyclohexylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135496257
2-Amino-7-cyclopentylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552937
2-Amino-7-cyclohex-1-enyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552943
2-Amino-7-cycloheptylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552946
2-Amino-7-piperidin-3-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552952
2-Amino-7-cyclohexyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135603717
2-Amino-7-(3-trifluoromethyl-cyclohexylmethyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135621412
2-Amino-7-(3-methyl-cyclohexylmethyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135621414
2,6-Diamino-7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
CID 136179495
2-Amino-7-benzyl-6-methyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135984646
2,6-Diamino-3,5-dihydro-7-(phenylmethyl)-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135400900
2-Amino-3,5,6,7,8,9-hexahydro-4H-pyrimido(4,5-b)indol-4-one
CID 135741885

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135987590) is 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(CC3CCCCC3)c(N)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is GSXPTTGZKTYVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-11-8(6-7-4-2-1-3-5-7)9-10(16-11)12(19)18-13(15)17-9/h7,16H,1-6,14H2,(H3,15,17,18,19).
What are the key properties of 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 261.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135987590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).