2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol

C18H24N4O2 — CID 133375898

IUPAC2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNc2cc(N3CCCC3CO)ncn2)c1
InChIInChI=1S/C18H24N4O2/c1-13-4-2-5-14(8-13)16(24)10-19-17-9-18(21-12-20-17)22-7-3-6-15(22)11-23/h2,4-5,8-9,12,15-16,23-24H,3,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyGJAWOWBHMXMHQL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.89
Rot. Bonds6

About 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol

2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol (PubChem CID 133375898) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol
PubChem CID133375898
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNc2cc(N3CCCC3CO)ncn2)c1
InChIInChI=1S/C18H24N4O2/c1-13-4-2-5-14(8-13)16(24)10-19-17-9-18(21-12-20-17)22-7-3-6-15(22)11-23/h2,4-5,8-9,12,15-16,23-24H,3,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyGJAWOWBHMXMHQL-UHFFFAOYSA-N
XLogP1.89
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol with MolForge

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133411946
[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299034
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[(2S)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763919
[(2R)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763918
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 133301171
[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763960
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol (CID 133375898) is 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CNc2cc(N3CCCC3CO)ncn2)c1.
What is the InChIKey of 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol?
The InChIKey is GJAWOWBHMXMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-4-2-5-14(8-13)16(24)10-19-17-9-18(21-12-20-17)22-7-3-6-15(22)11-23/h2,4-5,8-9,12,15-16,23-24H,3,6-7,10-11H2,1H3,(H,19,20,21).
What are the key properties of 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol?
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol has a molecular weight of 328.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 133375898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).