[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine

C10H15N3O2 — CID 142707797

IUPAC[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine
SMILESNCc1nccc(CO[C@H]2CCOC2)n1
InChIInChI=1S/C10H15N3O2/c11-5-10-12-3-1-8(13-10)6-15-9-2-4-14-7-9/h1,3,9H,2,4-7,11H2/t9-/m0/s1
InChIKeyDBCYZQJFDSZZME-VIFPVBQESA-N
MW209.25 g/mol
LogP0.24
Rot. Bonds4

About [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine

[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine (PubChem CID 142707797) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine
PubChem CID142707797
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine
SMILESNCc1nccc(CO[C@H]2CCOC2)n1
InChIInChI=1S/C10H15N3O2/c11-5-10-12-3-1-8(13-10)6-15-9-2-4-14-7-9/h1,3,9H,2,4-7,11H2/t9-/m0/s1
InChIKeyDBCYZQJFDSZZME-VIFPVBQESA-N
XLogP0.24
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
CID 154377158
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 66718550
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
[6-(2-methylbutoxymethyl)-2-pyridinyl]methanamine;[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanamine
CID 145133902
N-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]acetamide
CID 154658060
2-chloro-6-(oxan-4-yloxymethyl)pyridine
CID 79243769
3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 142707802
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
2-(oxolan-3-yloxymethyl)-1,3-benzoxazol-6-amine
CID 79999271
[3-(oxolan-3-yloxy)pyrazin-2-yl]methanamine
CID 63558605

Frequently Asked Questions

What is the IUPAC name of [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine?
The IUPAC name of [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine (CID 142707797) is [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine is NCc1nccc(CO[C@H]2CCOC2)n1.
What is the InChIKey of [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine?
The InChIKey is DBCYZQJFDSZZME-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O2/c11-5-10-12-3-1-8(13-10)6-15-9-2-4-14-7-9/h1,3,9H,2,4-7,11H2/t9-/m0/s1.
What are the key properties of [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine?
[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine has a molecular weight of 209.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine is sourced from PubChem (CID 142707797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).