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

C13H18N4S — CID 114131317

IUPAC6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
SMILESCC(C)c1cc(NC(C)(C)c2nccs2)ncn1
InChIInChI=1S/C13H18N4S/c1-9(2)10-7-11(16-8-15-10)17-13(3,4)12-14-5-6-18-12/h5-9H,1-4H3,(H,15,16,17)
InChIKeyMUIVBJRXISOWCV-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.40
Rot. Bonds4

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

6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 114131317) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID114131317
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
SMILESCC(C)c1cc(NC(C)(C)c2nccs2)ncn1
InChIInChI=1S/C13H18N4S/c1-9(2)10-7-11(16-8-15-10)17-13(3,4)12-14-5-6-18-12/h5-9H,1-4H3,(H,15,16,17)
InChIKeyMUIVBJRXISOWCV-UHFFFAOYSA-N
XLogP3.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 78954788
N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
CID 126849068
6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293653
6-chloro-2-(methoxymethyl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine
CID 114131055
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
CID 103731287
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352465
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114131288
N-[(5-bromothiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240171
6-bromo-2-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 114131183
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
CID 115975948

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine (CID 114131317) is 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine is CC(C)c1cc(NC(C)(C)c2nccs2)ncn1.
What is the InChIKey of 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is MUIVBJRXISOWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)10-7-11(16-8-15-10)17-13(3,4)12-14-5-6-18-12/h5-9H,1-4H3,(H,15,16,17).
What are the key properties of 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine?
6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 114131317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).