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

C17H23N5 — CID 171328091

IUPACN,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cnc(N(C)C2CCN(Cc3ccncc3)CC2)nc1
InChIInChI=1S/C17H23N5/c1-14-11-19-17(20-12-14)21(2)16-5-9-22(10-6-16)13-15-3-7-18-8-4-15/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3
InChIKeyDCEJTWKZRGXUKH-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.28
Rot. Bonds4

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

N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 171328091) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID171328091
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cnc(N(C)C2CCN(Cc3ccncc3)CC2)nc1
InChIInChI=1S/C17H23N5/c1-14-11-19-17(20-12-14)21(2)16-5-9-22(10-6-16)13-15-3-7-18-8-4-15/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3
InChIKeyDCEJTWKZRGXUKH-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328544
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981420
5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 163354531
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328165
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
N-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328418
5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 155980999
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
4-[methyl-(5-methylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 116978157
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 60605574

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (CID 171328091) is N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is Cc1cnc(N(C)C2CCN(Cc3ccncc3)CC2)nc1.
What is the InChIKey of N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is DCEJTWKZRGXUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-11-19-17(20-12-14)21(2)16-5-9-22(10-6-16)13-15-3-7-18-8-4-15/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171328091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).