1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

C21H25N5S — CID 72884221

IUPAC1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCc1cc(N2CCC(NCc3csc(C)n3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H25N5S/c1-15-12-20(25-21(23-15)17-6-4-3-5-7-17)26-10-8-18(9-11-26)22-13-19-14-27-16(2)24-19/h3-7,12,14,18,22H,8-11,13H2,1-2H3
InChIKeyKMDCBUQGIGIGEX-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.98
Rot. Bonds5

About 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (PubChem CID 72884221) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
PubChem CID72884221
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCc1cc(N2CCC(NCc3csc(C)n3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H25N5S/c1-15-12-20(25-21(23-15)17-6-4-3-5-7-17)26-10-8-18(9-11-26)22-13-19-14-27-16(2)24-19/h3-7,12,14,18,22H,8-11,13H2,1-2H3
InChIKeyKMDCBUQGIGIGEX-UHFFFAOYSA-N
XLogP3.98
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine
CID 97268462
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
CID 95723048
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-amine
CID 97438269
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 118757978
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827
(3aR,6aS)-5-[1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 72920514
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-amine
CID 56767077

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (CID 72884221) is 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is Cc1cc(N2CCC(NCc3csc(C)n3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is KMDCBUQGIGIGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-15-12-20(25-21(23-15)17-6-4-3-5-7-17)26-10-8-18(9-11-26)22-13-19-14-27-16(2)24-19/h3-7,12,14,18,22H,8-11,13H2,1-2H3.
What are the key properties of 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 379.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72884221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).