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

C12H15N5S — CID 175659929

IUPACN-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(C3CNC3)nc(C)n2)n1
InChIInChI=1S/C12H15N5S/c1-7-6-18-12(14-7)17-11-3-10(9-4-13-5-9)15-8(2)16-11/h3,6,9,13H,4-5H2,1-2H3,(H,14,15,16,17)
InChIKeyMZQRZAMKYOUEJU-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.98
Rot. Bonds3

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

N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 175659929) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID175659929
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(C3CNC3)nc(C)n2)n1
InChIInChI=1S/C12H15N5S/c1-7-6-18-12(14-7)17-11-3-10(9-4-13-5-9)15-8(2)16-11/h3,6,9,13H,4-5H2,1-2H3,(H,14,15,16,17)
InChIKeyMZQRZAMKYOUEJU-UHFFFAOYSA-N
XLogP1.98
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 124985635
1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095429
4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 110095024
2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110096032
1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 171147362
2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124942190
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
4,5-dimethyl-N-(2-methyl-6-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 175662288
(E)-3-(1H-imidazol-5-yl)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 132765965
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
4-methyl-N-(4-piperidin-4-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24826060
5-methyl-N-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95842001

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 175659929) is N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2cc(C3CNC3)nc(C)n2)n1.
What is the InChIKey of N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is MZQRZAMKYOUEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-7-6-18-12(14-7)17-11-3-10(9-4-13-5-9)15-8(2)16-11/h3,6,9,13H,4-5H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175659929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).