6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine

C15H22N4S — CID 80836636

IUPAC6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)Cc2ccc(C)s2)nc(C)n1
InChIInChI=1S/C15H22N4S/c1-5-16-14-9-15(19-12(4)18-14)17-10(2)8-13-7-6-11(3)20-13/h6-7,9-10H,5,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyBTVYNKXVWQMDHG-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.63
Rot. Bonds6

About 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine

6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine (PubChem CID 80836636) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
PubChem CID80836636
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)Cc2ccc(C)s2)nc(C)n1
InChIInChI=1S/C15H22N4S/c1-5-16-14-9-15(19-12(4)18-14)17-10(2)8-13-7-6-11(3)20-13/h6-7,9-10H,5,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyBTVYNKXVWQMDHG-UHFFFAOYSA-N
XLogP3.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 80836637
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
CID 107874721
6-N-ethyl-2-methylsulfanyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80818024
2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80917766
3-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]triazol-4-amine
CID 114222537
4-N-[1-(4-bromophenyl)ethyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80802039
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
CID 83064073
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
CID 103390068
7-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283492
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
CID 112868249
5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
CID 112695253

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine (CID 80836636) is 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine is CCNc1cc(NC(C)Cc2ccc(C)s2)nc(C)n1.
What is the InChIKey of 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine?
The InChIKey is BTVYNKXVWQMDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-16-14-9-15(19-12(4)18-14)17-10(2)8-13-7-6-11(3)20-13/h6-7,9-10H,5,8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine?
6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80836636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).