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

C14H20N4S — CID 80836637

IUPAC2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC(C)Cc2ccc(C)s2)n1
InChIInChI=1S/C14H20N4S/c1-9(7-12-6-5-11(3)19-12)16-13-8-10(2)17-14(15-4)18-13/h5-6,8-9H,7H2,1-4H3,(H2,15,16,17,18)
InChIKeyXEFVWMWJJXRMSA-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.24
Rot. Bonds5

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

2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine (PubChem CID 80836637) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine
PubChem CID80836637
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC(C)Cc2ccc(C)s2)n1
InChIInChI=1S/C14H20N4S/c1-9(7-12-6-5-11(3)19-12)16-13-8-10(2)17-14(15-4)18-13/h5-6,8-9H,7H2,1-4H3,(H2,15,16,17,18)
InChIKeyXEFVWMWJJXRMSA-UHFFFAOYSA-N
XLogP3.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
CID 80836636
2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80917766
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
CID 83064073
2,6-dimethyl-4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carbothioamide
CID 81036465
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
CID 107874721
2-N-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
CID 80803462
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575185
4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80801489
N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80800769
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 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine (CID 80836637) is 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine is CNc1nc(C)cc(NC(C)Cc2ccc(C)s2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine?
The InChIKey is XEFVWMWJJXRMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9(7-12-6-5-11(3)19-12)16-13-8-10(2)17-14(15-4)18-13/h5-6,8-9H,7H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80836637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).