[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

C12H16ClN3O — CID 137363788

IUPAC[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C12H16ClN3O/c13-12-14-10-5-1-4-9(10)11(15-12)16-6-2-3-8(16)7-17/h8,17H,1-7H2
InChIKeyKZWXEAPMOQNORK-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.58
Rot. Bonds2

About [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 137363788) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID137363788
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C12H16ClN3O/c13-12-14-10-5-1-4-9(10)11(15-12)16-6-2-3-8(16)7-17/h8,17H,1-7H2
InChIKeyKZWXEAPMOQNORK-UHFFFAOYSA-N
XLogP1.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363251
[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
CID 137363510
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 142498248
[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
CID 142498271
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 62833346
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
4-[2-(bromomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80667841
2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide
CID 133462172
[(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid
CID 141430950
[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 79727661
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 137363788) is [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(Cl)nc2c1CCC2.
What is the InChIKey of [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is KZWXEAPMOQNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-12-14-10-5-1-4-9(10)11(15-12)16-6-2-3-8(16)7-17/h8,17H,1-7H2.
What are the key properties of [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 253.73 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).