5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine

C14H17BrN4 — CID 81311702

IUPAC5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C)cn2)nc(C)c1Br
InChIInChI=1S/C14H17BrN4/c1-4-7-16-14-12(15)10(3)18-13(19-14)11-6-5-9(2)8-17-11/h5-6,8H,4,7H2,1-3H3,(H,16,18,19)
InChIKeyQLXXEZXVUIBZOR-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.74
Rot. Bonds4

About 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine

5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine (PubChem CID 81311702) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
PubChem CID81311702
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C)cn2)nc(C)c1Br
InChIInChI=1S/C14H17BrN4/c1-4-7-16-14-12(15)10(3)18-13(19-14)11-6-5-9(2)8-17-11/h5-6,8H,4,7H2,1-3H3,(H,16,18,19)
InChIKeyQLXXEZXVUIBZOR-UHFFFAOYSA-N
XLogP3.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-methyl-2-(6-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 66305685
2-(5-methyl-2-pyridinyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 81311695
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
N,5-diethyl-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 81311692
5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713731
5-bromo-2-(2,6-dichlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66295533
2-(5-fluoro-2-pyridinyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713717
5-bromo-2-(4-ethylsulfanylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106849549
5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79971925
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103570523
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine (CID 81311702) is 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(C)cn2)nc(C)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine?
The InChIKey is QLXXEZXVUIBZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-4-7-16-14-12(15)10(3)18-13(19-14)11-6-5-9(2)8-17-11/h5-6,8H,4,7H2,1-3H3,(H,16,18,19).
What are the key properties of 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine?
5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(5-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 81311702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).