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

C13H19N5S — CID 80807701

IUPAC6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cnc(C)s2)c1CC
InChIInChI=1S/C13H19N5S/c1-4-11-12(14-5-2)17-8-18-13(11)16-7-10-6-15-9(3)19-10/h6,8H,4-5,7H2,1-3H3,(H2,14,16,17,18)
InChIKeyCTCKWMSAMPXVIC-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.85
Rot. Bonds6

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

6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80807701) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80807701
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cnc(C)s2)c1CC
InChIInChI=1S/C13H19N5S/c1-4-11-12(14-5-2)17-8-18-13(11)16-7-10-6-15-9(3)19-10/h6,8H,4-5,7H2,1-3H3,(H2,14,16,17,18)
InChIKeyCTCKWMSAMPXVIC-UHFFFAOYSA-N
XLogP2.85
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine
CID 80897287
5-bromo-2-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80807441
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 104599843
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 106378791
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818447
4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide
CID 138034199
2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80960726
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79632909
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960412
6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (CID 80807701) is 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCc2cnc(C)s2)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is CTCKWMSAMPXVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-4-11-12(14-5-2)17-8-18-13(11)16-7-10-6-15-9(3)19-10/h6,8H,4-5,7H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80807701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).