5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C12H17N5S — CID 175660589

IUPAC5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCN[C@@H](C)c1nc(C)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C12H17N5S/c1-7-5-10(16-11(15-7)9(3)13-4)17-12-14-6-8(2)18-12/h5-6,9,13H,1-4H3,(H,14,15,16,17)/t9-/m0/s1
InChIKeyAYDBPEJHLQXDNP-VIFPVBQESA-N
MW263.37 g/mol
LogP2.57
Rot. Bonds4

About 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 175660589) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID175660589
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCN[C@@H](C)c1nc(C)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C12H17N5S/c1-7-5-10(16-11(15-7)9(3)13-4)17-12-14-6-8(2)18-12/h5-6,9,13H,1-4H3,(H,14,15,16,17)/t9-/m0/s1
InChIKeyAYDBPEJHLQXDNP-VIFPVBQESA-N
XLogP2.57
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(1R)-1-[(5-fluoro-2-pyridinyl)methyl-methylamino]ethyl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659435
5-methyl-N-[6-methyl-2-[(1R)-1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 175659827
5-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 155985242
6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 103764750
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 25102938
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 139474272
1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 155985320
ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 91452477
5-methyl-N-(2-methyl-6-piperidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 175662363
N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 155985353
N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 25011967
N-(4,6-dichloro-1,3,5-triazin-2-yl)-5-methyl-1,3-thiazol-2-amine
CID 88588890

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 175660589) is 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is CN[C@@H](C)c1nc(C)cc(Nc2ncc(C)s2)n1.
What is the InChIKey of 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is AYDBPEJHLQXDNP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5S/c1-7-5-10(16-11(15-7)9(3)13-4)17-12-14-6-8(2)18-12/h5-6,9,13H,1-4H3,(H,14,15,16,17)/t9-/m0/s1.
What are the key properties of 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-methyl-2-[(1S)-1-(methylamino)ethyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175660589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).