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

C15H20N4 — CID 115531140

IUPACN-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)c1cnccc1C
InChIInChI=1S/C15H20N4/c1-4-7-18-15(13-10-16-8-5-11(13)2)14-6-9-17-12(3)19-14/h5-6,8-10,15,18H,4,7H2,1-3H3
InChIKeyWFYOBBZHUKXSCR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.58
Rot. Bonds5

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

N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 115531140) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID115531140
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)n1)c1cnccc1C
InChIInChI=1S/C15H20N4/c1-4-7-18-15(13-10-16-8-5-11(13)2)14-6-9-17-12(3)19-14/h5-6,8-10,15,18H,4,7H2,1-3H3
InChIKeyWFYOBBZHUKXSCR-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

N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530971
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
N-[(3-methylfuran-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 104806165
N-[(4-bromothiophen-3-yl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530960
N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 102952316
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
N-[(2,6-difluoro-3-methylphenyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82803166
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 113329640
5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
CID 114878633

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine (CID 115531140) is N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1ccnc(C)n1)c1cnccc1C.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is WFYOBBZHUKXSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-7-18-15(13-10-16-8-5-11(13)2)14-6-9-17-12(3)19-14/h5-6,8-10,15,18H,4,7H2,1-3H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(4-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-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115531140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).