6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine

C15H22N6S — CID 91791117

IUPAC6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CCN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C15H22N6S/c1-9-13(22-8-18-9)3-4-21(2)14-7-12(19-15(17)20-14)10-5-11(16)6-10/h7-8,10-11H,3-6,16H2,1-2H3,(H2,17,19,20)
InChIKeyIKRJEBDCDVNWPR-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.71
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 91791117) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID91791117
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CCN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C15H22N6S/c1-9-13(22-8-18-9)3-4-21(2)14-7-12(19-15(17)20-14)10-5-11(16)6-10/h7-8,10-11H,3-6,16H2,1-2H3,(H2,17,19,20)
InChIKeyIKRJEBDCDVNWPR-UHFFFAOYSA-N
XLogP1.71
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine (CID 91791117) is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine is Cc1ncsc1CCN(C)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is IKRJEBDCDVNWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-9-13(22-8-18-9)3-4-21(2)14-7-12(19-15(17)20-14)10-5-11(16)6-10/h7-8,10-11H,3-6,16H2,1-2H3,(H2,17,19,20).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 318.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91791117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).