5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

C16H26N4O — CID 50948161

IUPAC5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(NCCC2CCOC2)c1C
InChIInChI=1S/C16H26N4O/c1-12-13(2)18-16(20-8-3-4-9-20)19-15(12)17-7-5-14-6-10-21-11-14/h14H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyZQDJYSMVUBGWGF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.53
Rot. Bonds5

About 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 50948161) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID50948161
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(NCCC2CCOC2)c1C
InChIInChI=1S/C16H26N4O/c1-12-13(2)18-16(20-8-3-4-9-20)19-15(12)17-7-5-14-6-10-21-11-14/h14H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyZQDJYSMVUBGWGF-UHFFFAOYSA-N
XLogP2.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2,5,6-Trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71969218
N-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-2,5,6-trimethylpyrimidin-4-amine
CID 72902906
[(3S)-1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
CID 164637595
5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987826
N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987827
5-fluoro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 104451145
2-N-methyl-4-N-[2-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105940823
2-N-ethyl-4-N-[2-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105941037
4-N-[2-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105941039
5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
CID 113362259
[2-(5-Fluoro-2,6-dimethylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine
CID 137888483
1-{2-[(5,6-Dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl}cyclopentanol
CID 135108204

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 50948161) is 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(N2CCCC2)nc(NCCC2CCOC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is ZQDJYSMVUBGWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-13(2)18-16(20-8-3-4-9-20)19-15(12)17-7-5-14-6-10-21-11-14/h14H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(oxolan-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50948161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).