5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride

C18H21Cl5N4 — CID 45073446

IUPAC5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
SMILESCCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl.Cl
InChIInChI=1S/C18H20Cl4N4.ClH/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21;/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25);1H
InChIKeyCPMGENCTAWBLNW-UHFFFAOYSA-N
MW470.66 g/mol
LogP7.19
Rot. Bonds7

About 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride

5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride (PubChem CID 45073446) has the molecular formula C18H21Cl5N4 and a molecular weight of 470.66 g/mol. Its IUPAC name is 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
PubChem CID45073446
Molecular FormulaC18H21Cl5N4
Molecular Weight470.66 g/mol
Exact Mass468.02
IUPAC Name5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
SMILESCCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl.Cl
InChIInChI=1S/C18H20Cl4N4.ClH/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21;/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25);1H
InChIKeyCPMGENCTAWBLNW-UHFFFAOYSA-N
XLogP7.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride?
The IUPAC name of 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride (CID 45073446) is 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride.
What is the SMILES notation for 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride?
The canonical SMILES for 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride is CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl.Cl.
What is the InChIKey of 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride?
The InChIKey is CPMGENCTAWBLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl4N4.ClH/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21;/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25);1H.
What are the key properties of 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride?
5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride has a molecular weight of 470.66 g/mol, XLogP of 7.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride is sourced from PubChem (CID 45073446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).