6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine

C17H25N5S — CID 163307046

IUPAC6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine
SMILESCc1cc(N[C@@H]2CCC[C@@H](CN(C)Cc3nccs3)C2)ncn1
InChIInChI=1S/C17H25N5S/c1-13-8-16(20-12-19-13)21-15-5-3-4-14(9-15)10-22(2)11-17-18-6-7-23-17/h6-8,12,14-15H,3-5,9-11H2,1-2H3,(H,19,20,21)/t14-,15-/m1/s1
InChIKeyQTPHCNVKFCQKTK-HUUCEWRRSA-N
MW331.49 g/mol
LogP3.34
Rot. Bonds6

About 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine

6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine (PubChem CID 163307046) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine
PubChem CID163307046
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine
SMILESCc1cc(N[C@@H]2CCC[C@@H](CN(C)Cc3nccs3)C2)ncn1
InChIInChI=1S/C17H25N5S/c1-13-8-16(20-12-19-13)21-15-5-3-4-14(9-15)10-22(2)11-17-18-6-7-23-17/h6-8,12,14-15H,3-5,9-11H2,1-2H3,(H,19,20,21)/t14-,15-/m1/s1
InChIKeyQTPHCNVKFCQKTK-HUUCEWRRSA-N
XLogP3.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 129343091
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
N-(3-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 133399476
cis-(1R,3S)-3-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 130643849
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
CID 115417081
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
CID 64723771
(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 59671218
1-cyclobutyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylmethanamine
CID 62862233
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine (CID 163307046) is 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine is Cc1cc(N[C@@H]2CCC[C@@H](CN(C)Cc3nccs3)C2)ncn1.
What is the InChIKey of 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine?
The InChIKey is QTPHCNVKFCQKTK-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N5S/c1-13-8-16(20-12-19-13)21-15-5-3-4-14(9-15)10-22(2)11-17-18-6-7-23-17/h6-8,12,14-15H,3-5,9-11H2,1-2H3,(H,19,20,21)/t14-,15-/m1/s1.
What are the key properties of 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine?
6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine has a molecular weight of 331.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R,3R)-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]cyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 163307046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).