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

C16H23N5S — CID 126889315

IUPACN,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3csc(C)n3)CC2)ncn1
InChIInChI=1S/C16H23N5S/c1-12-8-16(18-11-17-12)20(3)15-4-6-21(7-5-15)9-14-10-22-13(2)19-14/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyONAXYRKEIXBEDH-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.65
Rot. Bonds4

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

N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126889315) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126889315
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC NameN,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3csc(C)n3)CC2)ncn1
InChIInChI=1S/C16H23N5S/c1-12-8-16(18-11-17-12)20(3)15-4-6-21(7-5-15)9-14-10-22-13(2)19-14/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyONAXYRKEIXBEDH-UHFFFAOYSA-N
XLogP2.65
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890847
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889379
N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126889332
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
CID 125025991
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889453

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126889315) is N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3csc(C)n3)CC2)ncn1.
What is the InChIKey of N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is ONAXYRKEIXBEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12-8-16(18-11-17-12)20(3)15-4-6-21(7-5-15)9-14-10-22-13(2)19-14/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 317.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126889315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).