6-amino-1-(3-aminopropyl)pyrimidin-4-one

C7H12N4O — CID 82413278

IUPAC6-amino-1-(3-aminopropyl)pyrimidin-4-one
SMILESNCCCn1cnc(=O)cc1N
InChIInChI=1S/C7H12N4O/c8-2-1-3-11-5-10-7(12)4-6(11)9/h4-5H,1-3,8-9H2
InChIKeySMIXGWGAUGJIOO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.83
Rot. Bonds3

About 6-amino-1-(3-aminopropyl)pyrimidin-4-one

6-amino-1-(3-aminopropyl)pyrimidin-4-one (PubChem CID 82413278) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-amino-1-(3-aminopropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-(3-aminopropyl)pyrimidin-4-one
PubChem CID82413278
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name6-amino-1-(3-aminopropyl)pyrimidin-4-one
SMILESNCCCn1cnc(=O)cc1N
InChIInChI=1S/C7H12N4O/c8-2-1-3-11-5-10-7(12)4-6(11)9/h4-5H,1-3,8-9H2
InChIKeySMIXGWGAUGJIOO-UHFFFAOYSA-N
XLogP-0.83
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
2,4-diamino-3-methyl-1H-pyrimidin-3-ium-6-one
CID 134891807
4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
CID 136979145
4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137153616
4-(3-fluoropropylamino)-1H-pyrimidin-6-one
CID 137270960
2-[(3-aminopropyl)amino]pyrimidin-4(1H)-one
CID 19795858
2-amino-4-(prop-2-enylamino)-1H-pyrimidin-6-one
CID 135440280

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-aminopropyl)pyrimidin-4-one?
The IUPAC name of 6-amino-1-(3-aminopropyl)pyrimidin-4-one (CID 82413278) is 6-amino-1-(3-aminopropyl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-1-(3-aminopropyl)pyrimidin-4-one?
The canonical SMILES for 6-amino-1-(3-aminopropyl)pyrimidin-4-one is NCCCn1cnc(=O)cc1N.
What is the InChIKey of 6-amino-1-(3-aminopropyl)pyrimidin-4-one?
The InChIKey is SMIXGWGAUGJIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-2-1-3-11-5-10-7(12)4-6(11)9/h4-5H,1-3,8-9H2.
What are the key properties of 6-amino-1-(3-aminopropyl)pyrimidin-4-one?
6-amino-1-(3-aminopropyl)pyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-aminopropyl)pyrimidin-4-one is sourced from PubChem (CID 82413278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).