4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol

C19H26N4O2 — CID 133495720

IUPAC4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
SMILESCC(O)(CCNc1cc(N2CCCC2CO)ncn1)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-19(25,15-6-3-2-4-7-15)9-10-20-17-12-18(22-14-21-17)23-11-5-8-16(23)13-24/h2-4,6-7,12,14,16,24-25H,5,8-11,13H2,1H3,(H,20,21,22)
InChIKeyVDWNCXCAODPUOO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds7

About 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol

4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol (PubChem CID 133495720) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
PubChem CID133495720
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
SMILESCC(O)(CCNc1cc(N2CCCC2CO)ncn1)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-19(25,15-6-3-2-4-7-15)9-10-20-17-12-18(22-14-21-17)23-11-5-8-16(23)13-24/h2-4,6-7,12,14,16,24-25H,5,8-11,13H2,1H3,(H,20,21,22)
InChIKeyVDWNCXCAODPUOO-UHFFFAOYSA-N
XLogP2.15
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299034
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(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
[1-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133348730
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299300
2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 122047255
[1-[6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297555
[1-[6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133331301

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol?
The IUPAC name of 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol (CID 133495720) is 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol.
What is the SMILES notation for 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol?
The canonical SMILES for 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol is CC(O)(CCNc1cc(N2CCCC2CO)ncn1)c1ccccc1.
What is the InChIKey of 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol?
The InChIKey is VDWNCXCAODPUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(25,15-6-3-2-4-7-15)9-10-20-17-12-18(22-14-21-17)23-11-5-8-16(23)13-24/h2-4,6-7,12,14,16,24-25H,5,8-11,13H2,1H3,(H,20,21,22).
What are the key properties of 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol?
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol is sourced from PubChem (CID 133495720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).