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

C14H21N5S — CID 80942180

IUPAC6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)c2nc(C)cs2)nc(CC)n1
InChIInChI=1S/C14H21N5S/c1-5-11-18-12(15-6-2)7-13(19-11)17-10(4)14-16-9(3)8-20-14/h7-8,10H,5-6H2,1-4H3,(H2,15,17,18,19)
InChIKeyADWNHOWTCHHRNV-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.41
Rot. Bonds6

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

6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80942180) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80942180
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)c2nc(C)cs2)nc(CC)n1
InChIInChI=1S/C14H21N5S/c1-5-11-18-12(15-6-2)7-13(19-11)17-10(4)14-16-9(3)8-20-14/h7-8,10H,5-6H2,1-4H3,(H2,15,17,18,19)
InChIKeyADWNHOWTCHHRNV-UHFFFAOYSA-N
XLogP3.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80937649
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940133
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
6-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133294382
6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
CID 114767732
6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767901
2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 134710131
2-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565229
2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328270

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80942180) is 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CCNc1cc(NC(C)c2nc(C)cs2)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ADWNHOWTCHHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-5-11-18-12(15-6-2)7-13(19-11)17-10(4)14-16-9(3)8-20-14/h7-8,10H,5-6H2,1-4H3,(H2,15,17,18,19).
What are the key properties of 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80942180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).