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

C13H19N5S — CID 80839822

IUPAC2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(C)Cc2scnc2C)n1
InChIInChI=1S/C13H19N5S/c1-5-14-13-15-6-9(2)12(17-13)18(4)7-11-10(3)16-8-19-11/h6,8H,5,7H2,1-4H3,(H,14,15,17)
InChIKeyGKCXDIRDCRPWIB-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.62
Rot. Bonds5

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

2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80839822) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80839822
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(C)Cc2scnc2C)n1
InChIInChI=1S/C13H19N5S/c1-5-14-13-15-6-9(2)12(17-13)18(4)7-11-10(3)16-8-19-11/h6,8H,5,7H2,1-4H3,(H,14,15,17)
InChIKeyGKCXDIRDCRPWIB-UHFFFAOYSA-N
XLogP2.62
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838918
2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine
CID 114785264
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80849094
2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794156
5-bromo-2-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80829597
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80818951
2-hydrazinyl-N,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333792
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474
5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818952
N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine
CID 63836308

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 80839822) is 2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(C)c(N(C)Cc2scnc2C)n1.
What is the InChIKey of 2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GKCXDIRDCRPWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-5-14-13-15-6-9(2)12(17-13)18(4)7-11-10(3)16-8-19-11/h6,8H,5,7H2,1-4H3,(H,14,15,17).
What are the key properties of 2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.62, 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,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80839822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).