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

C17H25N5S — CID 146104294

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine
SMILESCCC(NC1CCN(c2cc(C)nc(C)n2)CC1)c1nccs1
InChIInChI=1S/C17H25N5S/c1-4-15(17-18-7-10-23-17)21-14-5-8-22(9-6-14)16-11-12(2)19-13(3)20-16/h7,10-11,14-15,21H,4-6,8-9H2,1-3H3
InChIKeyYBGHXQWISDGOEQ-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.26
Rot. Bonds5

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

1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine (PubChem CID 146104294) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine
PubChem CID146104294
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine
SMILESCCC(NC1CCN(c2cc(C)nc(C)n2)CC1)c1nccs1
InChIInChI=1S/C17H25N5S/c1-4-15(17-18-7-10-23-17)21-14-5-8-22(9-6-14)16-11-12(2)19-13(3)20-16/h7,10-11,14-15,21H,4-6,8-9H2,1-3H3
InChIKeyYBGHXQWISDGOEQ-UHFFFAOYSA-N
XLogP3.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
CID 79740776
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine
CID 79459168
1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 75495478
N-[1-(1,3-thiazol-2-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364633
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 126778638
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 124989644
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 154762701

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine (CID 146104294) is 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine is CCC(NC1CCN(c2cc(C)nc(C)n2)CC1)c1nccs1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine?
The InChIKey is YBGHXQWISDGOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-4-15(17-18-7-10-23-17)21-14-5-8-22(9-6-14)16-11-12(2)19-13(3)20-16/h7,10-11,14-15,21H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine has a molecular weight of 331.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 146104294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).