N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

C15H20N4O — CID 102952316

IUPACN-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)ncn1)c1cnccc1C
InChIInChI=1S/C15H20N4O/c1-4-6-17-15(12-9-16-7-5-11(12)2)13-8-14(20-3)19-10-18-13/h5,7-10,15,17H,4,6H2,1-3H3
InChIKeyHIUJEMBGLPOTNB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds6

About N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 102952316) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID102952316
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)ncn1)c1cnccc1C
InChIInChI=1S/C15H20N4O/c1-4-6-17-15(12-9-16-7-5-11(12)2)13-8-14(20-3)19-10-18-13/h5,7-10,15,17H,4,6H2,1-3H3
InChIKeyHIUJEMBGLPOTNB-UHFFFAOYSA-N
XLogP2.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423
N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 107560806
N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531140
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
CID 114878633
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (CID 102952316) is N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cc(OC)ncn1)c1cnccc1C.
What is the InChIKey of N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is HIUJEMBGLPOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-6-17-15(12-9-16-7-5-11(12)2)13-8-14(20-3)19-10-18-13/h5,7-10,15,17H,4,6H2,1-3H3.
What are the key properties of N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 102952316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).