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

C13H19N5S — CID 75421998

IUPAC4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCCc1ncc(CN(C)c2ccnc(N(C)C)n2)s1
InChIInChI=1S/C13H19N5S/c1-5-12-15-8-10(19-12)9-18(4)11-6-7-14-13(16-11)17(2)3/h6-8H,5,9H2,1-4H3
InChIKeyYMPCRVQBUZJIAS-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.20
Rot. Bonds5

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

4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 75421998) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID75421998
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCCc1ncc(CN(C)c2ccnc(N(C)C)n2)s1
InChIInChI=1S/C13H19N5S/c1-5-12-15-8-10(19-12)9-18(4)11-6-7-14-13(16-11)17(2)3/h6-8H,5,9H2,1-4H3
InChIKeyYMPCRVQBUZJIAS-UHFFFAOYSA-N
XLogP2.20
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 75421998) is 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is CCc1ncc(CN(C)c2ccnc(N(C)C)n2)s1.
What is the InChIKey of 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is YMPCRVQBUZJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-5-12-15-8-10(19-12)9-18(4)11-6-7-14-13(16-11)17(2)3/h6-8H,5,9H2,1-4H3.
What are the key properties of 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 75421998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).