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

C17H22N6S2 — CID 175659827

IUPAC5-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
SMILESCc1cc(Nc2ncc(C)s2)nc([C@@H](C)N(C)Cc2csc(C)n2)n1
InChIInChI=1S/C17H22N6S2/c1-10-6-15(22-17-18-7-11(2)25-17)21-16(19-10)12(3)23(5)8-14-9-24-13(4)20-14/h6-7,9,12H,8H2,1-5H3,(H,18,19,21,22)/t12-/m1/s1
InChIKeyZXHFQQDIJSQOSD-GFCCVEGCSA-N
MW374.54 g/mol
LogP4.25
Rot. Bonds6

About 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

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 (PubChem CID 175659827) has the molecular formula C17H22N6S2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID175659827
Molecular FormulaC17H22N6S2
Molecular Weight374.54 g/mol
Exact Mass374.13
IUPAC Name5-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
SMILESCc1cc(Nc2ncc(C)s2)nc([C@@H](C)N(C)Cc2csc(C)n2)n1
InChIInChI=1S/C17H22N6S2/c1-10-6-15(22-17-18-7-11(2)25-17)21-16(19-10)12(3)23(5)8-14-9-24-13(4)20-14/h6-7,9,12H,8H2,1-5H3,(H,18,19,21,22)/t12-/m1/s1
InChIKeyZXHFQQDIJSQOSD-GFCCVEGCSA-N
XLogP4.25
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2ncc(C)s2)nc([C@@H](C)N(C)Cc2csc(C)n2)n1.
What is the InChIKey of 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?
The InChIKey is ZXHFQQDIJSQOSD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N6S2/c1-10-6-15(22-17-18-7-11(2)25-17)21-16(19-10)12(3)23(5)8-14-9-24-13(4)20-14/h6-7,9,12H,8H2,1-5H3,(H,18,19,21,22)/t12-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 374.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175659827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).