1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

C16H24N6O — CID 50970544

IUPAC1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(CCCc1nccn1C)c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C16H24N6O/c1-20-11-8-17-14(20)4-3-9-21(2)16-18-7-5-15(19-16)22-10-6-13(23)12-22/h5,7-8,11,13,23H,3-4,6,9-10,12H2,1-2H3
InChIKeyGIXBLQUMIOKYON-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.85
Rot. Bonds6

About 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50970544) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50970544
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(CCCc1nccn1C)c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C16H24N6O/c1-20-11-8-17-14(20)4-3-9-21(2)16-18-7-5-15(19-16)22-10-6-13(23)12-22/h5,7-8,11,13,23H,3-4,6,9-10,12H2,1-2H3
InChIKeyGIXBLQUMIOKYON-UHFFFAOYSA-N
XLogP0.85
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 50970544) is 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is CN(CCCc1nccn1C)c1nccc(N2CCC(O)C2)n1.
What is the InChIKey of 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is GIXBLQUMIOKYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-20-11-8-17-14(20)4-3-9-21(2)16-18-7-5-15(19-16)22-10-6-13(23)12-22/h5,7-8,11,13,23H,3-4,6,9-10,12H2,1-2H3.
What are the key properties of 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 316.41 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50970544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).