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

C12H16N4OS — CID 164635154

IUPAC4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(N[C@@H](C)c2nc(C)cs2)n1
InChIInChI=1S/C12H16N4OS/c1-7-5-10(17-4)16-12(14-7)15-9(3)11-13-8(2)6-18-11/h5-6,9H,1-4H3,(H,14,15,16)/t9-/m0/s1
InChIKeyMAMHXRZECPJAHQ-VIFPVBQESA-N
MW264.35 g/mol
LogP2.73
Rot. Bonds4

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

4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 164635154) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
PubChem CID164635154
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(N[C@@H](C)c2nc(C)cs2)n1
InChIInChI=1S/C12H16N4OS/c1-7-5-10(17-4)16-12(14-7)15-9(3)11-13-8(2)6-18-11/h5-6,9H,1-4H3,(H,14,15,16)/t9-/m0/s1
InChIKeyMAMHXRZECPJAHQ-VIFPVBQESA-N
XLogP2.73
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine (CID 164635154) is 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine is COc1cc(C)nc(N[C@@H](C)c2nc(C)cs2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is MAMHXRZECPJAHQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-5-10(17-4)16-12(14-7)15-9(3)11-13-8(2)6-18-11/h5-6,9H,1-4H3,(H,14,15,16)/t9-/m0/s1.
What are the key properties of 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 164635154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).