1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol

C13H18N6O — CID 50963891

IUPAC1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(Cc1ncc[nH]1)c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C13H18N6O/c1-18(9-11-14-5-6-15-11)13-16-4-2-12(17-13)19-7-3-10(20)8-19/h2,4-6,10,20H,3,7-9H2,1H3,(H,14,15)
InChIKeySMYVOLFQNUWDJY-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.41
Rot. Bonds4

About 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50963891) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50963891
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(Cc1ncc[nH]1)c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C13H18N6O/c1-18(9-11-14-5-6-15-11)13-16-4-2-12(17-13)19-7-3-10(20)8-19/h2,4-6,10,20H,3,7-9H2,1H3,(H,14,15)
InChIKeySMYVOLFQNUWDJY-UHFFFAOYSA-N
XLogP0.41
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 50963891) is 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol is CN(Cc1ncc[nH]1)c1nccc(N2CCC(O)C2)n1.
What is the InChIKey of 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is SMYVOLFQNUWDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-18(9-11-14-5-6-15-11)13-16-4-2-12(17-13)19-7-3-10(20)8-19/h2,4-6,10,20H,3,7-9H2,1H3,(H,14,15).
What are the key properties of 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 274.33 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1H-imidazol-2-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50963891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).