6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C16H18N4S — CID 103324414

IUPAC6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3ccc(C)cc3)nc(N)nc2s1
InChIInChI=1S/C16H18N4S/c1-3-12-8-13-14(19-16(17)20-15(13)21-12)18-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H3,17,18,19,20)
InChIKeyYDXVAUAQHUMGLL-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.76
Rot. Bonds4

About 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324414) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324414
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3ccc(C)cc3)nc(N)nc2s1
InChIInChI=1S/C16H18N4S/c1-3-12-8-13-14(19-16(17)20-15(13)21-12)18-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H3,17,18,19,20)
InChIKeyYDXVAUAQHUMGLL-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-N-(furan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330480
4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325532
6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327265
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
6-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411895
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
4-N-(2-bromo-5-methylphenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329440
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
CID 103327161
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324414) is 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCc3ccc(C)cc3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YDXVAUAQHUMGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-12-8-13-14(19-16(17)20-15(13)21-12)18-9-11-6-4-10(2)5-7-11/h4-8H,3,9H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 298.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).