2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C16H26N4O — CID 114802868

IUPAC2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCCNc1nc(C2CC2)nc(N2CCC(CCO)C2)c1C
InChIInChI=1S/C16H26N4O/c1-3-17-14-11(2)16(19-15(18-14)13-4-5-13)20-8-6-12(10-20)7-9-21/h12-13,21H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyJJDBNSCFPBXSPV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds6

About 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol

2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114802868) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID114802868
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCCNc1nc(C2CC2)nc(N2CCC(CCO)C2)c1C
InChIInChI=1S/C16H26N4O/c1-3-17-14-11(2)16(19-15(18-14)13-4-5-13)20-8-6-12(10-20)7-9-21/h12-13,21H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyJJDBNSCFPBXSPV-UHFFFAOYSA-N
XLogP2.30
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816
2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80982039
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725
[2-cyclopropyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 81005992
2-cyclopropyl-6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992120
2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80984939
1-[1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839940
2-cyclopropyl-5-methyl-6-piperazin-1-yl-N-propylpyrimidin-4-amine
CID 80984339
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80988896

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 114802868) is 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol is CCNc1nc(C2CC2)nc(N2CCC(CCO)C2)c1C.
What is the InChIKey of 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is JJDBNSCFPBXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-17-14-11(2)16(19-15(18-14)13-4-5-13)20-8-6-12(10-20)7-9-21/h12-13,21H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 290.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).