2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine

C14H15Cl2N3O2 — CID 79639325

IUPAC2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(Cl)ncc2Cl)cc1OCC
InChIInChI=1S/C14H15Cl2N3O2/c1-3-20-11-6-5-9(7-12(11)21-4-2)18-13-10(15)8-17-14(16)19-13/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyRIDZNVHZIPIVLI-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.32
Rot. Bonds6

About 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine

2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine (PubChem CID 79639325) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
PubChem CID79639325
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(Cl)ncc2Cl)cc1OCC
InChIInChI=1S/C14H15Cl2N3O2/c1-3-20-11-6-5-9(7-12(11)21-4-2)18-13-10(15)8-17-14(16)19-13/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyRIDZNVHZIPIVLI-UHFFFAOYSA-N
XLogP4.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 80769404
N-[5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methoxyphenyl]methanesulfonamide
CID 171491386
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
CID 104532247
5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79639322
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
8-[(2,5-dichloropyrimidin-4-yl)amino]-1,4-diethyl-2,3-dihydro-1,4-benzodiazepin-5-one
CID 86633909

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine (CID 79639325) is 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine is CCOc1ccc(Nc2nc(Cl)ncc2Cl)cc1OCC.
What is the InChIKey of 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine?
The InChIKey is RIDZNVHZIPIVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-3-20-11-6-5-9(7-12(11)21-4-2)18-13-10(15)8-17-14(16)19-13/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine has a molecular weight of 328.20 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79639325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).