N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine

C17H24N4 — CID 62746685

IUPACN-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(Cc2cccnc2)nc1C
InChIInChI=1S/C17H24N4/c1-4-8-18-10-7-16-13(2)20-17(21-14(16)3)11-15-6-5-9-19-12-15/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyIRHHXGKNSGABGJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.62
Rot. Bonds7

About N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine

N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 62746685) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID62746685
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(Cc2cccnc2)nc1C
InChIInChI=1S/C17H24N4/c1-4-8-18-10-7-16-13(2)20-17(21-14(16)3)11-15-6-5-9-19-12-15/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyIRHHXGKNSGABGJ-UHFFFAOYSA-N
XLogP2.62
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62744955
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62745813
N-[2-(2-pyridin-3-ylethoxy)ethyl]propan-1-amine
CID 63262836
N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62746002
N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770847
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66300576
N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62744407
N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189907
N-[[2-[(4-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745833
3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 114289848
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 62746685) is N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(Cc2cccnc2)nc1C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is IRHHXGKNSGABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-8-18-10-7-16-13(2)20-17(21-14(16)3)11-15-6-5-9-19-12-15/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62746685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).