2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine

C15H23N5S — CID 80962108

IUPAC2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(C)c(C(C)Nc2cc(N)nc(C(C)(C)C)n2)s1
InChIInChI=1S/C15H23N5S/c1-8-13(21-10(3)17-8)9(2)18-12-7-11(16)19-14(20-12)15(4,5)6/h7,9H,1-6H3,(H3,16,18,19,20)
InChIKeyHBXHEMOPVLKMQM-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.60
Rot. Bonds3

About 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine

2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80962108) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80962108
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(C)c(C(C)Nc2cc(N)nc(C(C)(C)C)n2)s1
InChIInChI=1S/C15H23N5S/c1-8-13(21-10(3)17-8)9(2)18-12-7-11(16)19-14(20-12)15(4,5)6/h7,9H,1-6H3,(H3,16,18,19,20)
InChIKeyHBXHEMOPVLKMQM-UHFFFAOYSA-N
XLogP3.60
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine (CID 80962108) is 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine is Cc1nc(C)c(C(C)Nc2cc(N)nc(C(C)(C)C)n2)s1.
What is the InChIKey of 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is HBXHEMOPVLKMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-8-13(21-10(3)17-8)9(2)18-12-7-11(16)19-14(20-12)15(4,5)6/h7,9H,1-6H3,(H3,16,18,19,20).
What are the key properties of 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine?
2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80962108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).