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

C14H24ClN3O2 — CID 80953158

IUPAC6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOCCCN(CCOC)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H24ClN3O2/c1-11(2)14-16-12(15)10-13(17-14)18(7-9-20-4)6-5-8-19-3/h10-11H,5-9H2,1-4H3
InChIKeyZFWICLQOKVTTLO-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.74
Rot. Bonds9

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

6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80953158) 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)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80953158
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCOCCCN(CCOC)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H24ClN3O2/c1-11(2)14-16-12(15)10-13(17-14)18(7-9-20-4)6-5-8-19-3/h10-11H,5-9H2,1-4H3
InChIKeyZFWICLQOKVTTLO-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-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953498
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962058
6-hydrazinyl-N,N-bis(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80963989
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
CID 54989774
5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
CID 66233200
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107201810
1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951387
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80953303
3-[(6-chloro-2-ethylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80936629
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63728311
2-tert-butyl-6-chloro-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80951123
6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546845

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine (CID 80953158) is 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine is COCCCN(CCOC)c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZFWICLQOKVTTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-11(2)14-16-12(15)10-13(17-14)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)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-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)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).