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

C15H22N6S — CID 91796979

IUPAC6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2nccs2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H22N6S/c1-21(2)15-19-12(10-7-11(16)8-10)9-13(20-15)17-4-3-14-18-5-6-22-14/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H,17,19,20)
InChIKeyVQASXXJIUGHRLN-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.86
Rot. Bonds6

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

6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 91796979) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID91796979
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC Name6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2nccs2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H22N6S/c1-21(2)15-19-12(10-7-11(16)8-10)9-13(20-15)17-4-3-14-18-5-6-22-14/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H,17,19,20)
InChIKeyVQASXXJIUGHRLN-UHFFFAOYSA-N
XLogP1.86
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 91796979) is 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is CN(C)c1nc(NCCc2nccs2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is VQASXXJIUGHRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-21(2)15-19-12(10-7-11(16)8-10)9-13(20-15)17-4-3-14-18-5-6-22-14/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H,17,19,20).
What are the key properties of 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 318.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91796979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).