4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C11H18N4S — CID 80846727

IUPAC4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NCCC2CC2)nc(SC)n1
InChIInChI=1S/C11H18N4S/c1-12-9-7-10(15-11(14-9)16-2)13-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyJYBMSPVYSJPVRY-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.45
Rot. Bonds6

About 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80846727) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80846727
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NCCC2CC2)nc(SC)n1
InChIInChI=1S/C11H18N4S/c1-12-9-7-10(15-11(14-9)16-2)13-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyJYBMSPVYSJPVRY-UHFFFAOYSA-N
XLogP2.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N-(2-cyclohexylethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80790240
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114517029
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976
4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401538
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
4-N-[2-(3,5-difluorophenyl)ethyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804289
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80846727) is 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NCCC2CC2)nc(SC)n1.
What is the InChIKey of 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is JYBMSPVYSJPVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-12-9-7-10(15-11(14-9)16-2)13-6-5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80846727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).