N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine

C15H20N4 — CID 115530971

IUPACN-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1ccnc(C)n1
InChIInChI=1S/C15H20N4/c1-4-6-18-15(13-8-11(2)9-16-10-13)14-5-7-17-12(3)19-14/h5,7-10,15,18H,4,6H2,1-3H3
InChIKeyHUAIJHZVYRHNEW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.58
Rot. Bonds5

About N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine

N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 115530971) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID115530971
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1ccnc(C)n1
InChIInChI=1S/C15H20N4/c1-4-6-18-15(13-8-11(2)9-16-10-13)14-5-7-17-12(3)19-14/h5,7-10,15,18H,4,6H2,1-3H3
InChIKeyHUAIJHZVYRHNEW-UHFFFAOYSA-N
XLogP2.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260453
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531140
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374969
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789
N-[(5-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115374405
N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023117
N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374411
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(5-methyl-3-pyridinyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 113297212

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine (CID 115530971) is N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1cncc(C)c1)c1ccnc(C)n1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is HUAIJHZVYRHNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-6-18-15(13-8-11(2)9-16-10-13)14-5-7-17-12(3)19-14/h5,7-10,15,18H,4,6H2,1-3H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115530971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).