N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine

C14H23N3O2 — CID 83029099

IUPACN-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CCOC(C)(C)C2)ncn1
InChIInChI=1S/C14H23N3O2/c1-4-6-18-13-8-12(15-10-16-13)17-11-5-7-19-14(2,3)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyOKDPJOKNTTXSRK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.63
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine

N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine (PubChem CID 83029099) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
PubChem CID83029099
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC2CCOC(C)(C)C2)ncn1
InChIInChI=1S/C14H23N3O2/c1-4-6-18-13-8-12(15-10-16-13)17-11-5-7-19-14(2,3)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyOKDPJOKNTTXSRK-UHFFFAOYSA-N
XLogP2.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine (CID 83029099) is N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NC2CCOC(C)(C)C2)ncn1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine?
The InChIKey is OKDPJOKNTTXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-18-13-8-12(15-10-16-13)17-11-5-7-19-14(2,3)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine?
N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 83029099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).