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

C16H21N5 — CID 95824516

IUPACN-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
SMILESCNc1cccc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C16H21N5/c1-12-18-9-8-16(19-12)21-10-4-5-13(11-21)14-6-3-7-15(17-2)20-14/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyODDWGEBNTSQUSI-CYBMUJFWSA-N
MW283.38 g/mol
LogP2.61
Rot. Bonds3

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

N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine (PubChem CID 95824516) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
PubChem CID95824516
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
SMILESCNc1cccc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C16H21N5/c1-12-18-9-8-16(19-12)21-10-4-5-13(11-21)14-6-3-7-15(17-2)20-14/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyODDWGEBNTSQUSI-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine (CID 95824516) is N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine is CNc1cccc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1.
What is the InChIKey of N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine?
The InChIKey is ODDWGEBNTSQUSI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-18-9-8-16(19-12)21-10-4-5-13(11-21)14-6-3-7-15(17-2)20-14/h3,6-9,13H,4-5,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine?
N-methyl-6-[(3R)-1-(2-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-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 95824516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).