N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

C17H23N3S — CID 66097398

IUPACN,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1nc(CSc2ccccc2C)nc(C)c1CC
InChIInChI=1S/C17H23N3S/c1-5-14-13(4)19-16(20-17(14)18-6-2)11-21-15-10-8-7-9-12(15)3/h7-10H,5-6,11H2,1-4H3,(H,18,19,20)
InChIKeyFBNWROQLSKFKMP-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.38
Rot. Bonds6

About N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66097398) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66097398
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1nc(CSc2ccccc2C)nc(C)c1CC
InChIInChI=1S/C17H23N3S/c1-5-14-13(4)19-16(20-17(14)18-6-2)11-21-15-10-8-7-9-12(15)3/h7-10H,5-6,11H2,1-4H3,(H,18,19,20)
InChIKeyFBNWROQLSKFKMP-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66097398) is N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is CCNc1nc(CSc2ccccc2C)nc(C)c1CC.
What is the InChIKey of N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is FBNWROQLSKFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-5-14-13(4)19-16(20-17(14)18-6-2)11-21-15-10-8-7-9-12(15)3/h7-10H,5-6,11H2,1-4H3,(H,18,19,20).
What are the key properties of N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66097398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).