1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one

C12H13N7O — CID 66424327

IUPAC1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one
SMILESNc1ncnc2c1ncn2CCCn1cccnc1=O
InChIInChI=1S/C12H13N7O/c13-10-9-11(16-7-15-10)19(8-17-9)6-2-5-18-4-1-3-14-12(18)20/h1,3-4,7-8H,2,5-6H2,(H2,13,15,16)
InChIKeyLIFZMXVXXXQNRT-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.06
Rot. Bonds4

About 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one

1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one (PubChem CID 66424327) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one
PubChem CID66424327
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one
SMILESNc1ncnc2c1ncn2CCCn1cccnc1=O
InChIInChI=1S/C12H13N7O/c13-10-9-11(16-7-15-10)19(8-17-9)6-2-5-18-4-1-3-14-12(18)20/h1,3-4,7-8H,2,5-6H2,(H2,13,15,16)
InChIKeyLIFZMXVXXXQNRT-UHFFFAOYSA-N
XLogP0.06
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-nonylpurin-6-amine
CID 3816519
1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile
CID 114650911
9-pent-4-ynylpurin-6-amine
CID 91098853
4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
CID 66424528
9-(10-bromodecyl)purin-6-amine
CID 10831944
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
(3aR,4S,7R,7aS)-2-[3-(6-aminopurin-9-yl)propyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 101208829
9-(6-anilinohexyl)purin-6-amine
CID 67346454

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one?
The IUPAC name of 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one (CID 66424327) is 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one.
What is the SMILES notation for 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one?
The canonical SMILES for 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one is Nc1ncnc2c1ncn2CCCn1cccnc1=O.
What is the InChIKey of 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one?
The InChIKey is LIFZMXVXXXQNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c13-10-9-11(16-7-15-10)19(8-17-9)6-2-5-18-4-1-3-14-12(18)20/h1,3-4,7-8H,2,5-6H2,(H2,13,15,16).
What are the key properties of 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one?
1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one has a molecular weight of 271.28 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one is sourced from PubChem (CID 66424327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).