1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol

C18H24N4O — CID 47626361

IUPAC1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
SMILESCC(O)c1ccc(CNCc2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C18H24N4O/c1-14(23)17-6-4-15(5-7-17)10-19-11-16-12-20-18(21-13-16)22-8-2-3-9-22/h4-7,12-14,19,23H,2-3,8-11H2,1H3
InChIKeyZYJIMONDSLRCOM-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.42
Rot. Bonds6

About 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol

1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol (PubChem CID 47626361) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
PubChem CID47626361
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
SMILESCC(O)c1ccc(CNCc2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C18H24N4O/c1-14(23)17-6-4-15(5-7-17)10-19-11-16-12-20-18(21-13-16)22-8-2-3-9-22/h4-7,12-14,19,23H,2-3,8-11H2,1H3
InChIKeyZYJIMONDSLRCOM-UHFFFAOYSA-N
XLogP2.42
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 95582612
N-methyl-N-propan-2-yl-4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]benzamide
CID 47052300
3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine
CID 102536485
1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 47052615
2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethylamino]ethanol
CID 102536724
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
CID 87011463
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
CID 106670519
2-methyl-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-1-ol
CID 102536454
2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol
CID 102536476
(1R)-1-(3-fluoro-4-methoxyphenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine
CID 94193156

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol?
The IUPAC name of 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol (CID 47626361) is 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol is CC(O)c1ccc(CNCc2cnc(N3CCCC3)nc2)cc1.
What is the InChIKey of 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol?
The InChIKey is ZYJIMONDSLRCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(23)17-6-4-15(5-7-17)10-19-11-16-12-20-18(21-13-16)22-8-2-3-9-22/h4-7,12-14,19,23H,2-3,8-11H2,1H3.
What are the key properties of 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol?
1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol has a molecular weight of 312.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol is sourced from PubChem (CID 47626361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).