N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine

C16H21N5 — CID 125025536

IUPACN-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
SMILESCNc1cc([C@@H]2CCCN(c3cc(C)ncn3)C2)ccn1
InChIInChI=1S/C16H21N5/c1-12-8-16(20-11-19-12)21-7-3-4-14(10-21)13-5-6-18-15(9-13)17-2/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyZNCPCYIXXNTTJS-CQSZACIVSA-N
MW283.38 g/mol
LogP2.61
Rot. Bonds3

About N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine

N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine (PubChem CID 125025536) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
PubChem CID125025536
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
SMILESCNc1cc([C@@H]2CCCN(c3cc(C)ncn3)C2)ccn1
InChIInChI=1S/C16H21N5/c1-12-8-16(20-11-19-12)21-7-3-4-14(10-21)13-5-6-18-15(9-13)17-2/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyZNCPCYIXXNTTJS-CQSZACIVSA-N
XLogP2.61
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyridin-2-amine
CID 110105580
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
4-methyl-6-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 95845313
N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124985983
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
N-methyl-4-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125012536
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
N-methyl-6-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 95824306
[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110105747
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 125027057

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine (CID 125025536) is N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine is CNc1cc([C@@H]2CCCN(c3cc(C)ncn3)C2)ccn1.
What is the InChIKey of N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine?
The InChIKey is ZNCPCYIXXNTTJS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-8-16(20-11-19-12)21-7-3-4-14(10-21)13-5-6-18-15(9-13)17-2/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine?
N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 125025536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).