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

C15H23N5S — CID 80960726

IUPAC2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cnc(C)s2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H23N5S/c1-6-16-12-7-13(20-14(19-12)15(3,4)5)18-9-11-8-17-10(2)21-11/h7-8H,6,9H2,1-5H3,(H2,16,18,19,20)
InChIKeyIHLNNEKXCSCZLB-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.58
Rot. Bonds5

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

2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80960726) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80960726
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cnc(C)s2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H23N5S/c1-6-16-12-7-13(20-14(19-12)15(3,4)5)18-9-11-8-17-10(2)21-11/h7-8H,6,9H2,1-5H3,(H2,16,18,19,20)
InChIKeyIHLNNEKXCSCZLB-UHFFFAOYSA-N
XLogP3.58
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771282
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960412
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
2-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80934863
2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958954
6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 80646818
4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960564
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115925258
6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80807701
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 104599843

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (CID 80960726) is 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCc2cnc(C)s2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IHLNNEKXCSCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-6-16-12-7-13(20-14(19-12)15(3,4)5)18-9-11-8-17-10(2)21-11/h7-8H,6,9H2,1-5H3,(H2,16,18,19,20).
What are the key properties of 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80960726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).