4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

C14H24N4O2 — CID 80967954

IUPAC4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2COCCO2)nc(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-4-15-12-7-13(18-14(17-12)10(2)3)16-8-11-9-19-5-6-20-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyWKIGDSVJOBIFOM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.86
Rot. Bonds6

About 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80967954) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80967954
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2COCCO2)nc(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-4-15-12-7-13(18-14(17-12)10(2)3)16-8-11-9-19-5-6-20-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyWKIGDSVJOBIFOM-UHFFFAOYSA-N
XLogP1.86
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80797035
4-N-(1,4-dioxan-2-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955282
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
3,5-dichloro-6-N-(1,4-dioxan-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102756439
4-N-(1,4-dioxan-2-ylmethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770987
6-chloro-N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970999
6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 82736485
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80967249
[2-[[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 80959683
6-chloro-N-(1,4-dioxan-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545295
6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80968899

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80967954) is 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NCC2COCCO2)nc(C(C)C)n1.
What is the InChIKey of 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WKIGDSVJOBIFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-15-12-7-13(18-14(17-12)10(2)3)16-8-11-9-19-5-6-20-11/h7,10-11H,4-6,8-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 280.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,4-dioxan-2-ylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).