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

C14H22N4O — CID 56826362

IUPAC1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H22N4O/c1-11(19)9-17-5-7-18(8-6-17)14-12-3-2-4-13(12)15-10-16-14/h10-11,19H,2-9H2,1H3
InChIKeyNDIBAWIWWRQKFK-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.47
Rot. Bonds3

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

1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 56826362) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID56826362
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H22N4O/c1-11(19)9-17-5-7-18(8-6-17)14-12-3-2-4-13(12)15-10-16-14/h10-11,19H,2-9H2,1H3
InChIKeyNDIBAWIWWRQKFK-UHFFFAOYSA-N
XLogP0.47
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (CID 56826362) is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is NDIBAWIWWRQKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(19)9-17-5-7-18(8-6-17)14-12-3-2-4-13(12)15-10-16-14/h10-11,19H,2-9H2,1H3.
What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 262.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56826362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).