2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine

C16H29N3S — CID 79219947

IUPAC2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(CSCC(C)C)nc(CC)c1CCNC
InChIInChI=1S/C16H29N3S/c1-6-14-13(8-9-17-5)15(7-2)19-16(18-14)11-20-10-12(3)4/h12,17H,6-11H2,1-5H3
InChIKeyUPQKFQAZCKWULV-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.25
Rot. Bonds9

About 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 79219947) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID79219947
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(CSCC(C)C)nc(CC)c1CCNC
InChIInChI=1S/C16H29N3S/c1-6-14-13(8-9-17-5)15(7-2)19-16(18-14)11-20-10-12(3)4/h12,17H,6-11H2,1-5H3
InChIKeyUPQKFQAZCKWULV-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65137895
N-[2-[4,6-diethyl-2-(2-methylpropyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 79220574
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
6-ethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 65137126
4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine
CID 79218408
2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
CID 116731898
5-bromo-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 66317448
2-(2-methylpropylsulfanylmethyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739489
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137505
N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 65136966
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-methylethanamine
CID 62746334

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine (CID 79219947) is 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine is CCc1nc(CSCC(C)C)nc(CC)c1CCNC.
What is the InChIKey of 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is UPQKFQAZCKWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-14-13(8-9-17-5)15(7-2)19-16(18-14)11-20-10-12(3)4/h12,17H,6-11H2,1-5H3.
What are the key properties of 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 79219947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).