2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine

C13H17N5O — CID 102952685

IUPAC2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2cc(OC)ncn2)n1
InChIInChI=1S/C13H17N5O/c1-4-5-14-11-6-9(2)17-13(18-11)10-7-12(19-3)16-8-15-10/h6-8H,4-5H2,1-3H3,(H,14,17,18)
InChIKeyTTYPMJAFQNBFRS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.07
Rot. Bonds5

About 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine

2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 102952685) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID102952685
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2cc(OC)ncn2)n1
InChIInChI=1S/C13H17N5O/c1-4-5-14-11-6-9(2)17-13(18-11)10-7-12(19-3)16-8-15-10/h6-8H,4-5H2,1-3H3,(H,14,17,18)
InChIKeyTTYPMJAFQNBFRS-UHFFFAOYSA-N
XLogP2.07
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 102952684
2-(6-methoxypyridazin-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103374966
2-(6-methoxypyrimidin-4-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 102952705
6-tert-butyl-N-ethyl-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
CID 102952693
[2-(6-methoxypyrimidin-4-yl)-6-methylpyrimidin-4-yl]methanol
CID 102952908
2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106793012
2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79718258
2-methoxy-5-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62203451
N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 102949530
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62190181

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine (CID 102952685) is 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(-c2cc(OC)ncn2)n1.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is TTYPMJAFQNBFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-4-5-14-11-6-9(2)17-13(18-11)10-7-12(19-3)16-8-15-10/h6-8H,4-5H2,1-3H3,(H,14,17,18).
What are the key properties of 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine?
2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102952685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).