1,4-dimethyl-N-propylpyrimidin-4-amine

C9H17N3 — CID 130444818

IUPAC1,4-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNC1(C)C=CN(C)C=N1
InChIInChI=1S/C9H17N3/c1-4-6-10-9(2)5-7-12(3)8-11-9/h5,7-8,10H,4,6H2,1-3H3
InChIKeyRXYWKNTYKYLLAE-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.19
Rot. Bonds3

About 1,4-dimethyl-N-propylpyrimidin-4-amine

1,4-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 130444818) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1,4-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-propylpyrimidin-4-amine
PubChem CID130444818
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1,4-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNC1(C)C=CN(C)C=N1
InChIInChI=1S/C9H17N3/c1-4-6-10-9(2)5-7-12(3)8-11-9/h5,7-8,10H,4,6H2,1-3H3
InChIKeyRXYWKNTYKYLLAE-UHFFFAOYSA-N
XLogP1.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 1,4-dimethyl-N-propylpyrimidin-4-amine (CID 130444818) is 1,4-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 1,4-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 1,4-dimethyl-N-propylpyrimidin-4-amine is CCCNC1(C)C=CN(C)C=N1.
What is the InChIKey of 1,4-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is RXYWKNTYKYLLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-6-10-9(2)5-7-12(3)8-11-9/h5,7-8,10H,4,6H2,1-3H3.
What are the key properties of 1,4-dimethyl-N-propylpyrimidin-4-amine?
1,4-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 167.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 130444818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).