3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

C15H26N4O — CID 80827434

IUPAC3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNc1ncnc(N2CCCC2CCCO)c1CC
InChIInChI=1S/C15H26N4O/c1-3-13-14(16-4-2)17-11-18-15(13)19-9-5-7-12(19)8-6-10-20/h11-12,20H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyOKGHGKYMRLBSKA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds7

About 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 80827434) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID80827434
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNc1ncnc(N2CCCC2CCCO)c1CC
InChIInChI=1S/C15H26N4O/c1-3-13-14(16-4-2)17-11-18-15(13)19-9-5-7-12(19)8-6-10-20/h11-12,20H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyOKGHGKYMRLBSKA-UHFFFAOYSA-N
XLogP2.21
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
CID 80825609
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
2-[1-[6-(ethylamino)-5-nitropyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80751695
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 62833346
[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640640
3-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 83063494
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
N-ethyl-6-(2-methylpiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 80767567
2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
CID 107229306

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol (CID 80827434) is 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is CCNc1ncnc(N2CCCC2CCCO)c1CC.
What is the InChIKey of 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is OKGHGKYMRLBSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-13-14(16-4-2)17-11-18-15(13)19-9-5-7-12(19)8-6-10-20/h11-12,20H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80827434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).