N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine

C12H16N4S — CID 113373108

IUPACN-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(-c2nccs2)n1
InChIInChI=1S/C12H16N4S/c1-4-13-10-7-9(8(2)3)15-11(16-10)12-14-5-6-17-12/h5-8H,4H2,1-3H3,(H,13,15,16)
InChIKeyKIZSFEZSLXYPDL-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.16
Rot. Bonds4

About N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine

N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 113373108) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID113373108
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(-c2nccs2)n1
InChIInChI=1S/C12H16N4S/c1-4-13-10-7-9(8(2)3)15-11(16-10)12-14-5-6-17-12/h5-8H,4H2,1-3H3,(H,13,15,16)
InChIKeyKIZSFEZSLXYPDL-UHFFFAOYSA-N
XLogP3.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
N-ethyl-2-(2-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 114554287
2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 102843798
N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113453441
N-ethyl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 64993636
2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 79088441
N-ethyl-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
CID 114938334
2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 55045869
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 103083750

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine (CID 113373108) is N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is CCNc1cc(C(C)C)nc(-c2nccs2)n1.
What is the InChIKey of N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is KIZSFEZSLXYPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-4-13-10-7-9(8(2)3)15-11(16-10)12-14-5-6-17-12/h5-8H,4H2,1-3H3,(H,13,15,16).
What are the key properties of N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine?
N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 113373108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).