6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

C16H17N5S — CID 46993279

IUPAC6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESNCCc1cc(NCc2cnc(-c3ccccc3)s2)ncn1
InChIInChI=1S/C16H17N5S/c17-7-6-13-8-15(21-11-20-13)18-9-14-10-19-16(22-14)12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9,17H2,(H,18,20,21)
InChIKeyZMYUZHPWVZXNEG-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.71
Rot. Bonds6

About 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 46993279) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID46993279
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESNCCc1cc(NCc2cnc(-c3ccccc3)s2)ncn1
InChIInChI=1S/C16H17N5S/c17-7-6-13-8-15(21-11-20-13)18-9-14-10-19-16(22-14)12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9,17H2,(H,18,20,21)
InChIKeyZMYUZHPWVZXNEG-UHFFFAOYSA-N
XLogP2.71
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 46993279) is 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is NCCc1cc(NCc2cnc(-c3ccccc3)s2)ncn1.
What is the InChIKey of 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZMYUZHPWVZXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c17-7-6-13-8-15(21-11-20-13)18-9-14-10-19-16(22-14)12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9,17H2,(H,18,20,21).
What are the key properties of 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 46993279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).