N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine

C17H22N4 — CID 124938721

IUPACN,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCNC2)n1
InChIInChI=1S/C17H22N4/c1-21(2)17-19-12-15(13-7-4-3-5-8-13)16(20-17)14-9-6-10-18-11-14/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyGLZCYFWJLVQIAY-CQSZACIVSA-N
MW282.39 g/mol
LogP2.68
Rot. Bonds3

About N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine

N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 124938721) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID124938721
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCNC2)n1
InChIInChI=1S/C17H22N4/c1-21(2)17-19-12-15(13-7-4-3-5-8-13)16(20-17)14-9-6-10-18-11-14/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3/t14-/m1/s1
InChIKeyGLZCYFWJLVQIAY-CQSZACIVSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)-4-pyrrolidin-3-ylpyrimidin-5-yl]benzamide;hydrochloride
CID 71298577
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
CID 118760474
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
2-[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 110266436
N,N-dimethyl-4-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175662742
5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
CID 110246159
5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine
CID 110094374
2-[(3S)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92615344
N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 124962169
[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 110266511
5-(4-fluorophenyl)-N,N-dimethyl-4-[(2S)-morpholin-2-yl]pyrimidin-2-amine
CID 95804062

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine (CID 124938721) is N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine is CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCNC2)n1.
What is the InChIKey of N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is GLZCYFWJLVQIAY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4/c1-21(2)17-19-12-15(13-7-4-3-5-8-13)16(20-17)14-9-6-10-18-11-14/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine?
N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 124938721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).