N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine

C14H18N4S — CID 99637225

IUPACN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N[C@@H](c2nc(C)cs2)C2CC2)nc(C)n1
InChIInChI=1S/C14H18N4S/c1-8-6-12(17-10(3)15-8)18-13(11-4-5-11)14-16-9(2)7-19-14/h6-7,11,13H,4-5H2,1-3H3,(H,15,17,18)/t13-/m1/s1
InChIKeyXHFUJXSXOSOTHQ-CYBMUJFWSA-N
MW274.39 g/mol
LogP3.42
Rot. Bonds4

About N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine

N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 99637225) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID99637225
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N[C@@H](c2nc(C)cs2)C2CC2)nc(C)n1
InChIInChI=1S/C14H18N4S/c1-8-6-12(17-10(3)15-8)18-13(11-4-5-11)14-16-9(2)7-19-14/h6-7,11,13H,4-5H2,1-3H3,(H,15,17,18)/t13-/m1/s1
InChIKeyXHFUJXSXOSOTHQ-CYBMUJFWSA-N
XLogP3.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine (CID 99637225) is N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(N[C@@H](c2nc(C)cs2)C2CC2)nc(C)n1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is XHFUJXSXOSOTHQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N4S/c1-8-6-12(17-10(3)15-8)18-13(11-4-5-11)14-16-9(2)7-19-14/h6-7,11,13H,4-5H2,1-3H3,(H,15,17,18)/t13-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 274.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 99637225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).