2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine

C11H17N3O2 — CID 65352118

IUPAC2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(C2COCCO2)n1
InChIInChI=1S/C11H17N3O2/c1-2-3-8-6-10(12)14-11(13-8)9-7-15-4-5-16-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14)
InChIKeySLKSYRQJAPHWEC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.10
Rot. Bonds3

About 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine

2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 65352118) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine
PubChem CID65352118
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(C2COCCO2)n1
InChIInChI=1S/C11H17N3O2/c1-2-3-8-6-10(12)14-11(13-8)9-7-15-4-5-16-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14)
InChIKeySLKSYRQJAPHWEC-UHFFFAOYSA-N
XLogP1.10
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65356930
2-(2-methylcyclopropyl)-6-propylpyrimidin-4-amine
CID 65421312
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 65351632
6-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315273
5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306953
6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636664
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
[2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine
CID 79969508
4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955282
6-(1,4-dioxan-2-yl)pyrimidin-4-amine
CID 172993361
2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 65351630

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine (CID 65352118) is 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine is CCCc1cc(N)nc(C2COCCO2)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is SLKSYRQJAPHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-8-6-10(12)14-11(13-8)9-7-15-4-5-16-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14).
What are the key properties of 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine?
2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 223.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 65352118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).