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

C12H17N5S — CID 80811999

IUPAC2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)Cc2csc(C)n2)n1
InChIInChI=1S/C12H17N5S/c1-4-13-12-14-6-5-11(16-12)17(3)7-10-8-18-9(2)15-10/h5-6,8H,4,7H2,1-3H3,(H,13,14,16)
InChIKeyKLTVODDVVYRPMB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.31
Rot. Bonds5

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

2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80811999) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80811999
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(C)Cc2csc(C)n2)n1
InChIInChI=1S/C12H17N5S/c1-4-13-12-14-6-5-11(16-12)17(3)7-10-8-18-9(2)15-10/h5-6,8H,4,7H2,1-3H3,(H,13,14,16)
InChIKeyKLTVODDVVYRPMB-UHFFFAOYSA-N
XLogP2.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811753
6-N-ethyl-4-N,2-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811827
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80852291
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
CID 133274872
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80788617
3-N-ethyl-5-N-methyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3,5-diamine
CID 113423912
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 80811999) is 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is CCNc1nccc(N(C)Cc2csc(C)n2)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KLTVODDVVYRPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-13-12-14-6-5-11(16-12)17(3)7-10-8-18-9(2)15-10/h5-6,8H,4,7H2,1-3H3,(H,13,14,16).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80811999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).