3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine

C17H29N3S — CID 80631067

IUPAC3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C2CCCS2)nc(C)c1CC(C)CNC(C)C
InChIInChI=1S/C17H29N3S/c1-11(2)18-10-12(3)9-15-13(4)19-17(20-14(15)5)16-7-6-8-21-16/h11-12,16,18H,6-10H2,1-5H3
InChIKeyMORFWLSZTUKUOW-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.84
Rot. Bonds6

About 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine

3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 80631067) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID80631067
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nc(C2CCCS2)nc(C)c1CC(C)CNC(C)C
InChIInChI=1S/C17H29N3S/c1-11(2)18-10-12(3)9-15-13(4)19-17(20-14(15)5)16-7-6-8-21-16/h11-12,16,18H,6-10H2,1-5H3
InChIKeyMORFWLSZTUKUOW-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine with MolForge

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Related Compounds

N-[3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 80630948
3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 65293724
3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293872
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 80637259
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 80637395
3-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 80637394
2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
CID 80630958
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293588
N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine
CID 65293634
N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 80630950
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65294013
3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 115347195

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 80631067) is 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine is Cc1nc(C2CCCS2)nc(C)c1CC(C)CNC(C)C.
What is the InChIKey of 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is MORFWLSZTUKUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-11(2)18-10-12(3)9-15-13(4)19-17(20-14(15)5)16-7-6-8-21-16/h11-12,16,18H,6-10H2,1-5H3.
What are the key properties of 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 307.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 80631067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).