[1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C19H28N8O — CID 133297555

IUPAC[1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCCN2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C19H28N8O/c28-14-16-3-1-7-27(16)18-13-17(23-15-24-18)20-6-8-25-9-11-26(12-10-25)19-21-4-2-5-22-19/h2,4-5,13,15-16,28H,1,3,6-12,14H2,(H,20,23,24)
InChIKeyLJIXFUDQOHBZQK-UHFFFAOYSA-N
MW384.49 g/mol
LogP0.46
Rot. Bonds7

About [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133297555) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133297555
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name[1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCCN2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C19H28N8O/c28-14-16-3-1-7-27(16)18-13-17(23-15-24-18)20-6-8-25-9-11-26(12-10-25)19-21-4-2-5-22-19/h2,4-5,13,15-16,28H,1,3,6-12,14H2,(H,20,23,24)
InChIKeyLJIXFUDQOHBZQK-UHFFFAOYSA-N
XLogP0.46
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
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
N-[2-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethyl]pyrazine-2-carboxamide
CID 95764071
[1-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133399563
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299034
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
[(2R)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763918
[(2S)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763919
[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133390263
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133297555) is [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCCN2CCN(c3ncccn3)CC2)ncn1.
What is the InChIKey of [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is LJIXFUDQOHBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O/c28-14-16-3-1-7-27(16)18-13-17(23-15-24-18)20-6-8-25-9-11-26(12-10-25)19-21-4-2-5-22-19/h2,4-5,13,15-16,28H,1,3,6-12,14H2,(H,20,23,24).
What are the key properties of [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 384.49 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133297555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).