1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol

C17H22N4O — CID 56708909

IUPAC1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol
SMILESCc1nc(CCN)cc(N2CCC(O)(c3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-19-15(7-9-18)11-16(20-13)21-10-8-17(22,12-21)14-5-3-2-4-6-14/h2-6,11,22H,7-10,12,18H2,1H3
InChIKeyIOYQAKSFNVYHJE-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.38
Rot. Bonds4

About 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol

1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol (PubChem CID 56708909) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol
PubChem CID56708909
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol
SMILESCc1nc(CCN)cc(N2CCC(O)(c3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-19-15(7-9-18)11-16(20-13)21-10-8-17(22,12-21)14-5-3-2-4-6-14/h2-6,11,22H,7-10,12,18H2,1H3
InChIKeyIOYQAKSFNVYHJE-UHFFFAOYSA-N
XLogP1.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol (CID 56708909) is 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol is Cc1nc(CCN)cc(N2CCC(O)(c3ccccc3)C2)n1.
What is the InChIKey of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol?
The InChIKey is IOYQAKSFNVYHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-19-15(7-9-18)11-16(20-13)21-10-8-17(22,12-21)14-5-3-2-4-6-14/h2-6,11,22H,7-10,12,18H2,1H3.
What are the key properties of 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol?
1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol has a molecular weight of 298.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 56708909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).