6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine

C14H24ClN3O2 — CID 63728311

IUPAC6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCOCCCN(CCOC)c1ncnc(Cl)c1C(C)C
InChIInChI=1S/C14H24ClN3O2/c1-11(2)12-13(15)16-10-17-14(12)18(7-9-20-4)6-5-8-19-3/h10-11H,5-9H2,1-4H3
InChIKeyDWWNOPSDKRXETI-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.74
Rot. Bonds9

About 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63728311) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID63728311
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCOCCCN(CCOC)c1ncnc(Cl)c1C(C)C
InChIInChI=1S/C14H24ClN3O2/c1-11(2)12-13(15)16-10-17-14(12)18(7-9-20-4)6-5-8-19-3/h10-11H,5-9H2,1-4H3
InChIKeyDWWNOPSDKRXETI-UHFFFAOYSA-N
XLogP2.74
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine
CID 63728997
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829909
6-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 55035765
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 55231244
3-[(5-amino-6-chloropyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63285179
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 63728317
2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 63727847
6-chloro-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 63728106
6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 63024124
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953158
6-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 112663088
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine (CID 63728311) is 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine is COCCCN(CCOC)c1ncnc(Cl)c1C(C)C.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is DWWNOPSDKRXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-11(2)12-13(15)16-10-17-14(12)18(7-9-20-4)6-5-8-19-3/h10-11H,5-9H2,1-4H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 2.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63728311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).