2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C14H24N4O — CID 114802835

IUPAC2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCCCc1c(NC)ncnc1N1CCC(CCO)C1
InChIInChI=1S/C14H24N4O/c1-3-4-12-13(15-2)16-10-17-14(12)18-7-5-11(9-18)6-8-19/h10-11,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyFSMQYPXFCGZAKK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.68
Rot. Bonds6

About 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol

2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114802835) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID114802835
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCCCc1c(NC)ncnc1N1CCC(CCO)C1
InChIInChI=1S/C14H24N4O/c1-3-4-12-13(15-2)16-10-17-14(12)18-7-5-11(9-18)6-8-19/h10-11,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyFSMQYPXFCGZAKK-UHFFFAOYSA-N
XLogP1.68
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
CID 107229306
1-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629646
N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-propylpyrimidin-4-amine
CID 80836268
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
2-[6-(methylamino)-5-propylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858809
N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219
4-methyl-1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971251
1-(6-hydrazinyl-5-propylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684050
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
1-[1-(6-hydrazinyl-5-propylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839925
5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80836987

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 114802835) is 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol is CCCc1c(NC)ncnc1N1CCC(CCO)C1.
What is the InChIKey of 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is FSMQYPXFCGZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-4-12-13(15-2)16-10-17-14(12)18-7-5-11(9-18)6-8-19/h10-11,19H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).