[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

C12H16ClN3O — CID 80954082

IUPAC[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H16ClN3O/c13-10-6-11(15-12(14-10)8-3-4-8)16-5-1-2-9(16)7-17/h6,8-9,17H,1-5,7H2
InChIKeyADPXRBMYZAGVBC-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.97
Rot. Bonds3

About [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 80954082) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID80954082
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H16ClN3O/c13-10-6-11(15-12(14-10)8-3-4-8)16-5-1-2-9(16)7-17/h6,8-9,17H,1-5,7H2
InChIKeyADPXRBMYZAGVBC-UHFFFAOYSA-N
XLogP1.97
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80948989
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640662
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
tert-butyl N-[[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
CID 133421724
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80951421
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 133421150
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80968033

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 80954082) is [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is ADPXRBMYZAGVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-6-11(15-12(14-10)8-3-4-8)16-5-1-2-9(16)7-17/h6,8-9,17H,1-5,7H2.
What are the key properties of [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 253.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80954082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).