5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine

C12H17N5S — CID 82542920

IUPAC5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cncnc2)c(C(C)CCN)s1
InChIInChI=1S/C12H17N5S/c1-8(3-4-13)11-10(17-12(14-2)18-11)9-5-15-7-16-6-9/h5-8H,3-4,13H2,1-2H3,(H,14,17)
InChIKeyWEHCSMAAZKRRJO-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.09
Rot. Bonds5

About 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine

5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine (PubChem CID 82542920) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine
PubChem CID82542920
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cncnc2)c(C(C)CCN)s1
InChIInChI=1S/C12H17N5S/c1-8(3-4-13)11-10(17-12(14-2)18-11)9-5-15-7-16-6-9/h5-8H,3-4,13H2,1-2H3,(H,14,17)
InChIKeyWEHCSMAAZKRRJO-UHFFFAOYSA-N
XLogP2.09
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine (CID 82542920) is 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine is CNc1nc(-c2cncnc2)c(C(C)CCN)s1.
What is the InChIKey of 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine?
The InChIKey is WEHCSMAAZKRRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-8(3-4-13)11-10(17-12(14-2)18-11)9-5-15-7-16-6-9/h5-8H,3-4,13H2,1-2H3,(H,14,17).
What are the key properties of 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine?
5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutan-2-yl)-N-methyl-4-pyrimidin-5-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82542920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).