6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine

C11H19ClN4O2 — CID 63024124

IUPAC6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
SMILESCOCCN(c1ncnc(Cl)c1N)C(C)COC
InChIInChI=1S/C11H19ClN4O2/c1-8(6-18-3)16(4-5-17-2)11-9(13)10(12)14-7-15-11/h7-8H,4-6,13H2,1-3H3
InChIKeyLWLZXSCGXRAGRW-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.20
Rot. Bonds7

About 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine

6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine (PubChem CID 63024124) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
PubChem CID63024124
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
SMILESCOCCN(c1ncnc(Cl)c1N)C(C)COC
InChIInChI=1S/C11H19ClN4O2/c1-8(6-18-3)16(4-5-17-2)11-9(13)10(12)14-7-15-11/h7-8H,4-6,13H2,1-3H3
InChIKeyLWLZXSCGXRAGRW-UHFFFAOYSA-N
XLogP1.20
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 63728317
6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine
CID 63728997
3-[(5-amino-6-chloropyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63285179
3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
CID 79535258
6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine
CID 81059374
5-amino-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 103468022
6-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 115320609
6-chloro-4-N-methyl-4-N-propylpyrimidine-4,5-diamine
CID 63024110
6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
CID 63698064
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine
CID 80821307
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80979560
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 104540169

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine (CID 63024124) is 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine is COCCN(c1ncnc(Cl)c1N)C(C)COC.
What is the InChIKey of 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is LWLZXSCGXRAGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-8(6-18-3)16(4-5-17-2)11-9(13)10(12)14-7-15-11/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 274.75 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63024124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).