2-amino-4-(butylamino)-1H-pyrimidin-6-one

C8H14N4O — CID 135408602

IUPAC2-amino-4-(butylamino)-1H-pyrimidin-6-one
SMILESCCCCNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H14N4O/c1-2-3-4-10-6-5-7(13)12-8(9)11-6/h5H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeyNAOWMPHYJCDPFA-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.56
Rot. Bonds4

About 2-amino-4-(butylamino)-1H-pyrimidin-6-one

2-amino-4-(butylamino)-1H-pyrimidin-6-one (PubChem CID 135408602) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-amino-4-(butylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(butylamino)-1H-pyrimidin-6-one
PubChem CID135408602
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-amino-4-(butylamino)-1H-pyrimidin-6-one
SMILESCCCCNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H14N4O/c1-2-3-4-10-6-5-7(13)12-8(9)11-6/h5H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeyNAOWMPHYJCDPFA-UHFFFAOYSA-N
XLogP0.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(butylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(butylamino)-1H-pyrimidin-6-one (CID 135408602) is 2-amino-4-(butylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(butylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(butylamino)-1H-pyrimidin-6-one is CCCCNc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(butylamino)-1H-pyrimidin-6-one?
The InChIKey is NAOWMPHYJCDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-3-4-10-6-5-7(13)12-8(9)11-6/h5H,2-4H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 2-amino-4-(butylamino)-1H-pyrimidin-6-one?
2-amino-4-(butylamino)-1H-pyrimidin-6-one has a molecular weight of 182.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(butylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).