5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine

C13H13Cl3N4 — CID 164838647

IUPAC5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N[C@H](C)c2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C13H13Cl3N4/c1-6(9-4-3-8(14)5-10(9)15)18-12-11(16)7(2)19-13(17)20-12/h3-6H,1-2H3,(H3,17,18,19,20)/t6-/m1/s1
InChIKeyMBACKIVWPUARAU-ZCFIWIBFSA-N
MW331.63 g/mol
LogP4.50
Rot. Bonds3

About 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine

5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 164838647) has the molecular formula C13H13Cl3N4 and a molecular weight of 331.63 g/mol. Its IUPAC name is 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID164838647
Molecular FormulaC13H13Cl3N4
Molecular Weight331.63 g/mol
Exact Mass330.02
IUPAC Name5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N[C@H](C)c2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C13H13Cl3N4/c1-6(9-4-3-8(14)5-10(9)15)18-12-11(16)7(2)19-13(17)20-12/h3-6H,1-2H3,(H3,17,18,19,20)/t6-/m1/s1
InChIKeyMBACKIVWPUARAU-ZCFIWIBFSA-N
XLogP4.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.63
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 167565538
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932264
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
2-N-[1-(2,4-dichlorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80749841
2-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-6-(methyliminomethyl)pyrimidine-4,5-diamine
CID 176979189
2-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554408
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-6-methyl-2-[4-[(3R)-piperidin-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 170166724
[4-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methylpyrimidin-2-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 169253416
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 164838647) is 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N[C@H](C)c2ccc(Cl)cc2Cl)c1Cl.
What is the InChIKey of 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is MBACKIVWPUARAU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H13Cl3N4/c1-6(9-4-3-8(14)5-10(9)15)18-12-11(16)7(2)19-13(17)20-12/h3-6H,1-2H3,(H3,17,18,19,20)/t6-/m1/s1.
What are the key properties of 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 331.63 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 164838647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).