6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

C14H17Cl2N5 — CID 42943706

IUPAC6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)C(CNc1cc(Cl)nc(N)n1)c1ccccc1Cl
InChIInChI=1S/C14H17Cl2N5/c1-21(2)11(9-5-3-4-6-10(9)15)8-18-13-7-12(16)19-14(17)20-13/h3-7,11H,8H2,1-2H3,(H3,17,18,19,20)
InChIKeyFJBRIFHTIFKMDH-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.08
Rot. Bonds5

About 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 42943706) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID42943706
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)C(CNc1cc(Cl)nc(N)n1)c1ccccc1Cl
InChIInChI=1S/C14H17Cl2N5/c1-21(2)11(9-5-3-4-6-10(9)15)8-18-13-7-12(16)19-14(17)20-13/h3-7,11H,8H2,1-2H3,(H3,17,18,19,20)
InChIKeyFJBRIFHTIFKMDH-UHFFFAOYSA-N
XLogP3.08
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 46974204
2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 166197919
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine
CID 133324609
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 115591456
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
ethyl 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyridine-3-carboxylate
CID 31536134
6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
CID 102809450
6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 47280536
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (CID 42943706) is 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is CN(C)C(CNc1cc(Cl)nc(N)n1)c1ccccc1Cl.
What is the InChIKey of 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is FJBRIFHTIFKMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c1-21(2)11(9-5-3-4-6-10(9)15)8-18-13-7-12(16)19-14(17)20-13/h3-7,11H,8H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine has a molecular weight of 326.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 42943706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).