[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine

C13H19N3O — CID 116902577

IUPAC[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2nccc(C3CCOCC3)n2)CC1
InChIInChI=1S/C13H19N3O/c14-9-13(4-5-13)12-15-6-1-11(16-12)10-2-7-17-8-3-10/h1,6,10H,2-5,7-9,14H2
InChIKeyVSSSCEQJZMFTAA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.36
Rot. Bonds3

About [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine

[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine (PubChem CID 116902577) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
PubChem CID116902577
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
SMILESNCC1(c2nccc(C3CCOCC3)n2)CC1
InChIInChI=1S/C13H19N3O/c14-9-13(4-5-13)12-15-6-1-11(16-12)10-2-7-17-8-3-10/h1,6,10H,2-5,7-9,14H2
InChIKeyVSSSCEQJZMFTAA-UHFFFAOYSA-N
XLogP1.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine (CID 116902577) is [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine is NCC1(c2nccc(C3CCOCC3)n2)CC1.
What is the InChIKey of [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine?
The InChIKey is VSSSCEQJZMFTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-13(4-5-13)12-15-6-1-11(16-12)10-2-7-17-8-3-10/h1,6,10H,2-5,7-9,14H2.
What are the key properties of [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine?
[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116902577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).