3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine

C13H23N3O2 — CID 66333203

IUPAC3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine
SMILESCCCOc1cc(OCC(N)(CC)CC)ncn1
InChIInChI=1S/C13H23N3O2/c1-4-7-17-11-8-12(16-10-15-11)18-9-13(14,5-2)6-3/h8,10H,4-7,9,14H2,1-3H3
InChIKeyAMLYTVDSRWSFBL-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.16
Rot. Bonds8

About 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine

3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine (PubChem CID 66333203) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine
PubChem CID66333203
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine
SMILESCCCOc1cc(OCC(N)(CC)CC)ncn1
InChIInChI=1S/C13H23N3O2/c1-4-7-17-11-8-12(16-10-15-11)18-9-13(14,5-2)6-3/h8,10H,4-7,9,14H2,1-3H3
InChIKeyAMLYTVDSRWSFBL-UHFFFAOYSA-N
XLogP2.16
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 64573844
3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 66333935
2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine
CID 64572779
3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine
CID 66328310
3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine
CID 66334016
2-methyl-1-(6-methylpyrimidin-4-yl)oxybutan-2-amine
CID 64571505
[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine
CID 106485714
2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile
CID 64572339
3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine
CID 79465205
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-propoxypyrimidin-4-amine
CID 107867278
N'-(2-aminoethyl)-N'-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333205
4-(2-bromo-3,3-dimethylbutyl)-6-propoxypyrimidine
CID 66331791

Frequently Asked Questions

What is the IUPAC name of 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine (CID 66333203) is 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine is CCCOc1cc(OCC(N)(CC)CC)ncn1.
What is the InChIKey of 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine?
The InChIKey is AMLYTVDSRWSFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-7-17-11-8-12(16-10-15-11)18-9-13(14,5-2)6-3/h8,10H,4-7,9,14H2,1-3H3.
What are the key properties of 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine?
3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine has a molecular weight of 253.35 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 66333203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).