5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine

C13H16N4S — CID 52947401

IUPAC5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccnc(C3CC3)n2)s1
InChIInChI=1S/C13H16N4S/c1-2-6-15-13-16-8-11(18-13)10-5-7-14-12(17-10)9-3-4-9/h5,7-9H,2-4,6H2,1H3,(H,15,16)
InChIKeyUHMPVSBKMXDYEC-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.30
Rot. Bonds5

About 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine

5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 52947401) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine
PubChem CID52947401
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccnc(C3CC3)n2)s1
InChIInChI=1S/C13H16N4S/c1-2-6-15-13-16-8-11(18-13)10-5-7-14-12(17-10)9-3-4-9/h5,7-9H,2-4,6H2,1H3,(H,15,16)
InChIKeyUHMPVSBKMXDYEC-UHFFFAOYSA-N
XLogP3.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine (CID 52947401) is 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2ccnc(C3CC3)n2)s1.
What is the InChIKey of 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is UHMPVSBKMXDYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-6-15-13-16-8-11(18-13)10-5-7-14-12(17-10)9-3-4-9/h5,7-9H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine?
5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 260.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylpyrimidin-4-yl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52947401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).