1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone

C14H22N4O2 — CID 62467550

IUPAC1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCC1CCCO)c1ncccn1
InChIInChI=1S/C14H22N4O2/c1-17(14-15-7-4-8-16-14)11-13(20)18-9-2-5-12(18)6-3-10-19/h4,7-8,12,19H,2-3,5-6,9-11H2,1H3
InChIKeyYXZHFZIKCDCXJM-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.68
Rot. Bonds6

About 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone (PubChem CID 62467550) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
PubChem CID62467550
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCC1CCCO)c1ncccn1
InChIInChI=1S/C14H22N4O2/c1-17(14-15-7-4-8-16-14)11-13(20)18-9-2-5-12(18)6-3-10-19/h4,7-8,12,19H,2-3,5-6,9-11H2,1H3
InChIKeyYXZHFZIKCDCXJM-UHFFFAOYSA-N
XLogP0.68
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 61411371
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 91765336
2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
2-[4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]thiomorpholin-3-yl]acetic acid
CID 66443310
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 66262023
3-(3-bromophenoxy)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62468269
(3-hydroxy-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 82828961
3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469307

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone (CID 62467550) is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The canonical SMILES for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone is CN(CC(=O)N1CCCC1CCCO)c1ncccn1.
What is the InChIKey of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
The InChIKey is YXZHFZIKCDCXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17(14-15-7-4-8-16-14)11-13(20)18-9-2-5-12(18)6-3-10-19/h4,7-8,12,19H,2-3,5-6,9-11H2,1H3.
What are the key properties of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone?
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone has a molecular weight of 278.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone is sourced from PubChem (CID 62467550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).