propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine

C14H23N5S — CID 153387588

IUPACpropane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESC1CCNC1.CCC.Nc1nccc(-c2cncs2)n1
InChIInChI=1S/C7H6N4S.C4H9N.C3H8/c8-7-10-2-1-5(11-7)6-3-9-4-12-6;1-2-4-5-3-1;1-3-2/h1-4H,(H2,8,10,11);5H,1-4H2;3H2,1-2H3
InChIKeyHCYTWIXQQNOYCP-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.97
Rot. Bonds1

About propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine

propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine (PubChem CID 153387588) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Namepropane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine
PubChem CID153387588
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Namepropane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESC1CCNC1.CCC.Nc1nccc(-c2cncs2)n1
InChIInChI=1S/C7H6N4S.C4H9N.C3H8/c8-7-10-2-1-5(11-7)6-3-9-4-12-6;1-2-4-5-3-1;1-3-2/h1-4H,(H2,8,10,11);5H,1-4H2;3H2,1-2H3
InChIKeyHCYTWIXQQNOYCP-UHFFFAOYSA-N
XLogP2.97
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine (CID 153387588) is propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine is C1CCNC1.CCC.Nc1nccc(-c2cncs2)n1.
What is the InChIKey of propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is HCYTWIXQQNOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S.C4H9N.C3H8/c8-7-10-2-1-5(11-7)6-3-9-4-12-6;1-2-4-5-3-1;1-3-2/h1-4H,(H2,8,10,11);5H,1-4H2;3H2,1-2H3.
What are the key properties of propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine?
propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 293.44 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane;pyrrolidine;4-(1,3-thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 153387588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).