2-amino-4-propyl-1H-pyrimidin-6-one;azane

C7H14N4O — CID 167462255

IUPAC2-amino-4-propyl-1H-pyrimidin-6-one;azane
SMILESCCCc1cc(=O)[nH]c(N)n1.N
InChIInChI=1S/C7H11N3O.H3N/c1-2-3-5-4-6(11)10-7(8)9-5;/h4H,2-3H2,1H3,(H3,8,9,10,11);1H3
InChIKeyUCUCRJBEUBVHKD-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-4-propyl-1H-pyrimidin-6-one;azane

2-amino-4-propyl-1H-pyrimidin-6-one;azane (PubChem CID 167462255) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-amino-4-propyl-1H-pyrimidin-6-one;azane.

Molecular Properties

Compound Name2-amino-4-propyl-1H-pyrimidin-6-one;azane
PubChem CID167462255
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-amino-4-propyl-1H-pyrimidin-6-one;azane
SMILESCCCc1cc(=O)[nH]c(N)n1.N
InChIInChI=1S/C7H11N3O.H3N/c1-2-3-5-4-6(11)10-7(8)9-5;/h4H,2-3H2,1H3,(H3,8,9,10,11);1H3
InChIKeyUCUCRJBEUBVHKD-UHFFFAOYSA-N
XLogP0.47
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propyl-1H-pyrimidin-6-one;azane?
The IUPAC name of 2-amino-4-propyl-1H-pyrimidin-6-one;azane (CID 167462255) is 2-amino-4-propyl-1H-pyrimidin-6-one;azane.
What is the SMILES notation for 2-amino-4-propyl-1H-pyrimidin-6-one;azane?
The canonical SMILES for 2-amino-4-propyl-1H-pyrimidin-6-one;azane is CCCc1cc(=O)[nH]c(N)n1.N.
What is the InChIKey of 2-amino-4-propyl-1H-pyrimidin-6-one;azane?
The InChIKey is UCUCRJBEUBVHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.H3N/c1-2-3-5-4-6(11)10-7(8)9-5;/h4H,2-3H2,1H3,(H3,8,9,10,11);1H3.
What are the key properties of 2-amino-4-propyl-1H-pyrimidin-6-one;azane?
2-amino-4-propyl-1H-pyrimidin-6-one;azane has a molecular weight of 170.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propyl-1H-pyrimidin-6-one;azane is sourced from PubChem (CID 167462255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).