2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

C17H23N5O2 — CID 119068356

IUPAC2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCc1cccnc1CNc1cc(C2CCOC2)nc(NCCO)n1
InChIInChI=1S/C17H23N5O2/c1-12-3-2-5-18-15(12)10-20-16-9-14(13-4-8-24-11-13)21-17(22-16)19-6-7-23/h2-3,5,9,13,23H,4,6-8,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyNZZCAMAGFPYDAJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds7

About 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 119068356) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID119068356
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCc1cccnc1CNc1cc(C2CCOC2)nc(NCCO)n1
InChIInChI=1S/C17H23N5O2/c1-12-3-2-5-18-15(12)10-20-16-9-14(13-4-8-24-11-13)21-17(22-16)19-6-7-23/h2-3,5,9,13,23H,4,6-8,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyNZZCAMAGFPYDAJ-UHFFFAOYSA-N
XLogP1.70
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (CID 119068356) is 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is Cc1cccnc1CNc1cc(C2CCOC2)nc(NCCO)n1.
What is the InChIKey of 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is NZZCAMAGFPYDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-3-2-5-18-15(12)10-20-16-9-14(13-4-8-24-11-13)21-17(22-16)19-6-7-23/h2-3,5,9,13,23H,4,6-8,10-11H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 329.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-methyl-2-pyridinyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 119068356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).