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

C14H21N5S — CID 80982568

IUPAC2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(C)Cc2csc(C)n2)n1
InChIInChI=1S/C14H21N5S/c1-6-12-17-13(15-4)9(2)14(18-12)19(5)7-11-8-20-10(3)16-11/h8H,6-7H2,1-5H3,(H,15,17,18)
InChIKeyYVANFQXAKXNWEN-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.79
Rot. Bonds5

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

2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80982568) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80982568
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(C)Cc2csc(C)n2)n1
InChIInChI=1S/C14H21N5S/c1-6-12-17-13(15-4)9(2)14(18-12)19(5)7-11-8-20-10(3)16-11/h8H,6-7H2,1-5H3,(H,15,17,18)
InChIKeyYVANFQXAKXNWEN-UHFFFAOYSA-N
XLogP2.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982705
2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80987787
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 81006384
2-ethyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80993377
2-ethyl-6-hydrazinyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80937691
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390
2-N,4-N,4-N,6-N-tetramethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80812522
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811601
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
N,4,6-trimethyl-3-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 62282505
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80982568) is 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(N(C)Cc2csc(C)n2)n1.
What is the InChIKey of 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is YVANFQXAKXNWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-6-12-17-13(15-4)9(2)14(18-12)19(5)7-11-8-20-10(3)16-11/h8H,6-7H2,1-5H3,(H,15,17,18).
What are the key properties of 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80982568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).