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

C10H14ClN3O — CID 130536247

IUPAC1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccnc(Cl)n2)C1
InChIInChI=1S/C10H14ClN3O/c1-10(15)3-5-14(7-10)6-8-2-4-12-9(11)13-8/h2,4,15H,3,5-7H2,1H3
InChIKeyZGIXSMUGUVRMHH-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.09
Rot. Bonds2

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

1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 130536247) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID130536247
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccnc(Cl)n2)C1
InChIInChI=1S/C10H14ClN3O/c1-10(15)3-5-14(7-10)6-8-2-4-12-9(11)13-8/h2,4,15H,3,5-7H2,1H3
InChIKeyZGIXSMUGUVRMHH-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728462
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
CID 136522548
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol
CID 131185921
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529613
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728690
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
CID 71649628
1-[(4-chloro-2-pyridinyl)methyl]-4-methylazepan-4-ol
CID 107404146

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol (CID 130536247) is 1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(Cc2ccnc(Cl)n2)C1.
What is the InChIKey of 1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is ZGIXSMUGUVRMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-10(15)3-5-14(7-10)6-8-2-4-12-9(11)13-8/h2,4,15H,3,5-7H2,1H3.
What are the key properties of 1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol?
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 227.69 g/mol, XLogP of 1.09, 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]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 130536247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).