4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C12H22N4O2 — CID 80795868

IUPAC4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(CCOC)CCOC)c1C
InChIInChI=1S/C12H22N4O2/c1-10-11(13-2)14-9-15-12(10)16(5-7-17-3)6-8-18-4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyZGPGXKOVXYPVSN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.93
Rot. Bonds8

About 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80795868) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80795868
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(CCOC)CCOC)c1C
InChIInChI=1S/C12H22N4O2/c1-10-11(13-2)14-9-15-12(10)16(5-7-17-3)6-8-18-4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyZGPGXKOVXYPVSN-UHFFFAOYSA-N
XLogP0.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-methoxyethyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80829439
4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80823623
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808426
4-N,6-N,5-trimethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068634
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
6-hydrazinyl-N-(3-methoxypropyl)-N,5-dimethylpyrimidin-4-amine
CID 80913732
4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 82952827
6-chloro-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 63728106
4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80845427
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
6-N-cyclopentyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141697

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80795868) is 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(N(CCOC)CCOC)c1C.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is ZGPGXKOVXYPVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10-11(13-2)14-9-15-12(10)16(5-7-17-3)6-8-18-4/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 254.33 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80795868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).