2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol

C16H19N3O — CID 105058534

IUPAC2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1ncnc2c1CCC2)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-16(10-20,12-6-3-2-4-7-12)19-15-13-8-5-9-14(13)17-11-18-15/h2-4,6-7,11,20H,5,8-10H2,1H3,(H,17,18,19)
InChIKeyFUQAJOXATPIAHM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.28
Rot. Bonds4

About 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol (PubChem CID 105058534) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
PubChem CID105058534
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1ncnc2c1CCC2)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-16(10-20,12-6-3-2-4-7-12)19-15-13-8-5-9-14(13)17-11-18-15/h2-4,6-7,11,20H,5,8-10H2,1H3,(H,17,18,19)
InChIKeyFUQAJOXATPIAHM-UHFFFAOYSA-N
XLogP2.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol (CID 105058534) is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol is CC(CO)(Nc1ncnc2c1CCC2)c1ccccc1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol?
The InChIKey is FUQAJOXATPIAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(10-20,12-6-3-2-4-7-12)19-15-13-8-5-9-14(13)17-11-18-15/h2-4,6-7,11,20H,5,8-10H2,1H3,(H,17,18,19).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol?
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol has a molecular weight of 269.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 105058534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).