1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol

C10H14ClN3O — CID 131185921

IUPAC1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2ccnc(Cl)n2)CC1O
InChIInChI=1S/C10H14ClN3O/c1-7-4-14(6-9(7)15)5-8-2-3-12-10(11)13-8/h2-3,7,9,15H,4-6H2,1H3
InChIKeyVFARSTKMVYILSK-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.94
Rot. Bonds2

About 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol

1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol (PubChem CID 131185921) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol
PubChem CID131185921
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2ccnc(Cl)n2)CC1O
InChIInChI=1S/C10H14ClN3O/c1-7-4-14(6-9(7)15)5-8-2-3-12-10(11)13-8/h2-3,7,9,15H,4-6H2,1H3
InChIKeyVFARSTKMVYILSK-UHFFFAOYSA-N
XLogP0.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
CID 130536247
1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
CID 71649628
tert-butyl N-[(3R)-1-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-yl]-N-methylcarbamate
CID 97167031
1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130979733
2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine
CID 167592887
1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
CID 79245723
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121
1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
CID 102956998
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 130847204
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol (CID 131185921) is 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol is CC1CN(Cc2ccnc(Cl)n2)CC1O.
What is the InChIKey of 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol?
The InChIKey is VFARSTKMVYILSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-4-14(6-9(7)15)5-8-2-3-12-10(11)13-8/h2-3,7,9,15H,4-6H2,1H3.
What are the key properties of 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol?
1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol has a molecular weight of 227.69 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 131185921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).