3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine

C13H23N3O — CID 64573844

IUPAC3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1cc(C(C)C)ncn1
InChIInChI=1S/C13H23N3O/c1-5-13(14,6-2)8-17-12-7-11(10(3)4)15-9-16-12/h7,9-10H,5-6,8,14H2,1-4H3
InChIKeyHYASSSLYWRNYIP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.50
Rot. Bonds6

About 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine

3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine (PubChem CID 64573844) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine
PubChem CID64573844
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1cc(C(C)C)ncn1
InChIInChI=1S/C13H23N3O/c1-5-13(14,6-2)8-17-12-7-11(10(3)4)15-9-16-12/h7,9-10H,5-6,8,14H2,1-4H3
InChIKeyHYASSSLYWRNYIP-UHFFFAOYSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine (CID 64573844) is 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine is CCC(N)(CC)COc1cc(C(C)C)ncn1.
What is the InChIKey of 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine?
The InChIKey is HYASSSLYWRNYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-13(14,6-2)8-17-12-7-11(10(3)4)15-9-16-12/h7,9-10H,5-6,8,14H2,1-4H3.
What are the key properties of 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine?
3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine has a molecular weight of 237.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 64573844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).