N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C17H24N4 — CID 62746547

IUPACN-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(Cc2ccncc2)nc(C)c1CNCC(C)C
InChIInChI=1S/C17H24N4/c1-12(2)10-19-11-16-13(3)20-17(21-14(16)4)9-15-5-7-18-8-6-15/h5-8,12,19H,9-11H2,1-4H3
InChIKeyAGWDBAUCPRSMMD-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.82
Rot. Bonds6

About N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62746547) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62746547
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(Cc2ccncc2)nc(C)c1CNCC(C)C
InChIInChI=1S/C17H24N4/c1-12(2)10-19-11-16-13(3)20-17(21-14(16)4)9-15-5-7-18-8-6-15/h5-8,12,19H,9-11H2,1-4H3
InChIKeyAGWDBAUCPRSMMD-UHFFFAOYSA-N
XLogP2.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 115347182
N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 62746709
N-[[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 79712935
N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 63839957
4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 136889475
N-[[2-[(4-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745833
N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746762
1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744269
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
N,5-dimethyl-1-pyridin-4-ylhexan-3-amine
CID 105082999
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746560
N-[[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746715

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 62746547) is N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(Cc2ccncc2)nc(C)c1CNCC(C)C.
What is the InChIKey of N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AGWDBAUCPRSMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)10-19-11-16-13(3)20-17(21-14(16)4)9-15-5-7-18-8-6-15/h5-8,12,19H,9-11H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(pyridin-4-ylmethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62746547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).