N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

C17H29N3S — CID 80630950

IUPACN-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nc(C2CCCCS2)nc(C)c1CCNC(C)(C)C
InChIInChI=1S/C17H29N3S/c1-12-14(9-10-18-17(3,4)5)13(2)20-16(19-12)15-8-6-7-11-21-15/h15,18H,6-11H2,1-5H3
InChIKeyOZHZEYGLYKDQNT-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.98
Rot. Bonds4

About N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 80630950) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
PubChem CID80630950
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nc(C2CCCCS2)nc(C)c1CCNC(C)(C)C
InChIInChI=1S/C17H29N3S/c1-12-14(9-10-18-17(3,4)5)13(2)20-16(19-12)15-8-6-7-11-21-15/h15,18H,6-11H2,1-5H3
InChIKeyOZHZEYGLYKDQNT-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-6-methyl-5-(3-thiomorpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271033
N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 55114012
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylethanamine
CID 62744054
N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 62744426
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-ethylethanamine
CID 62745812
2,2,2-trifluoro-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 65040788
N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041075
N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 79959525
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine
CID 79964004
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylethanamine
CID 79964087
N-[2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 79964173
N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638969

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (CID 80630950) is N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is Cc1nc(C2CCCCS2)nc(C)c1CCNC(C)(C)C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is OZHZEYGLYKDQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-12-14(9-10-18-17(3,4)5)13(2)20-16(19-12)15-8-6-7-11-21-15/h15,18H,6-11H2,1-5H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 307.51 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(thian-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80630950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).