3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

C14H21N3O — CID 62833346

IUPAC3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1ncnc2c1CCC2
InChIInChI=1S/C14H21N3O/c18-9-3-5-11-4-2-8-17(11)14-12-6-1-7-13(12)15-10-16-14/h10-11,18H,1-9H2
InChIKeyDVYYBXPEGPPSQD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.71
Rot. Bonds4

About 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62833346) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62833346
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1ncnc2c1CCC2
InChIInChI=1S/C14H21N3O/c18-9-3-5-11-4-2-8-17(11)14-12-6-1-7-13(12)15-10-16-14/h10-11,18H,1-9H2
InChIKeyDVYYBXPEGPPSQD-UHFFFAOYSA-N
XLogP1.71
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-bromoethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80671545
4-[2-(bromomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80667841
4-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56778077
N-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62831889
3-[1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80827434
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
3-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 83063494
3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 55104264
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926318
[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
CID 103442231
3-[1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 62477248

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 62833346) is 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1c1ncnc2c1CCC2.
What is the InChIKey of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DVYYBXPEGPPSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-9-3-5-11-4-2-8-17(11)14-12-6-1-7-13(12)15-10-16-14/h10-11,18H,1-9H2.
What are the key properties of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62833346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).