3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol

C15H19N5O — CID 11176891

IUPAC3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol
SMILESCNC1CCN(c2cc(-c3cccc(O)c3)nc(N)n2)C1
InChIInChI=1S/C15H19N5O/c1-17-11-5-6-20(9-11)14-8-13(18-15(16)19-14)10-3-2-4-12(21)7-10/h2-4,7-8,11,17,21H,5-6,9H2,1H3,(H2,16,18,19)
InChIKeyDVSWKUYDMVIUHW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.23
Rot. Bonds3

About 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol

3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol (PubChem CID 11176891) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol
PubChem CID11176891
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol
SMILESCNC1CCN(c2cc(-c3cccc(O)c3)nc(N)n2)C1
InChIInChI=1S/C15H19N5O/c1-17-11-5-6-20(9-11)14-8-13(18-15(16)19-14)10-3-2-4-12(21)7-10/h2-4,7-8,11,17,21H,5-6,9H2,1H3,(H2,16,18,19)
InChIKeyDVSWKUYDMVIUHW-UHFFFAOYSA-N
XLogP1.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol?
The IUPAC name of 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol (CID 11176891) is 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol is CNC1CCN(c2cc(-c3cccc(O)c3)nc(N)n2)C1.
What is the InChIKey of 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol?
The InChIKey is DVSWKUYDMVIUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-17-11-5-6-20(9-11)14-8-13(18-15(16)19-14)10-3-2-4-12(21)7-10/h2-4,7-8,11,17,21H,5-6,9H2,1H3,(H2,16,18,19).
What are the key properties of 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol?
3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol has a molecular weight of 285.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 11176891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).