4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine

C20H25Cl3N4 — CID 10502620

IUPAC4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
SMILESCCCN(CC1CC1)c1nc(C)nc(N(C)c2c(Cl)cc(Cl)cc2Cl)c1C
InChIInChI=1S/C20H25Cl3N4/c1-5-8-27(11-14-6-7-14)20-12(2)19(24-13(3)25-20)26(4)18-16(22)9-15(21)10-17(18)23/h9-10,14H,5-8,11H2,1-4H3
InChIKeyQNGYAHPJWIACBK-UHFFFAOYSA-N
MW427.81 g/mol
LogP6.45
Rot. Bonds7

About 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine

4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine (PubChem CID 10502620) has the molecular formula C20H25Cl3N4 and a molecular weight of 427.81 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
PubChem CID10502620
Molecular FormulaC20H25Cl3N4
Molecular Weight427.81 g/mol
Exact Mass426.11
IUPAC Name4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
SMILESCCCN(CC1CC1)c1nc(C)nc(N(C)c2c(Cl)cc(Cl)cc2Cl)c1C
InChIInChI=1S/C20H25Cl3N4/c1-5-8-27(11-14-6-7-14)20-12(2)19(24-13(3)25-20)26(4)18-16(22)9-15(21)10-17(18)23/h9-10,14H,5-8,11H2,1-4H3
InChIKeyQNGYAHPJWIACBK-UHFFFAOYSA-N
XLogP6.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.81
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

5-Chloro-N4-(cyclopropylmethyl)-2-methyl-N4-propyl-N6-(2,4,6-trichlorophenyl)-4,6-pyrimidinediamine
CID 176157
7-(2,4-Dichlorophenyl)-10-methyl-2-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 9800613
N-Cyclopropylmethyl-2,5-dimethyl-N-propyl-N''-(2,4,6-trichloro-phenyl)-pyrimidine-4,6-diamine
CID 9801874
7-(2,4-Dichlorophenyl)-2-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10159031
2-(2,4-Dichlorophenyl)-10-methyl-7-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10178517
2-(2,4-Dichlorophenyl)-7-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10180350
5-Chloro-4-(N-(cyclopropyl)methyl-N-propylamino)-2-methyl-6-(2,4,6-trichlorophenyl)aminopyridine
CID 45073446
5-bromo-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10028059
6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 10254503
5-chloro-4-N-(cyclopropylmethyl)-6-N-(2,6-dichloro-4-iodophenyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 10346761
4-N-(cyclopropylmethyl)-5-ethyl-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10550438
4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10573027

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine (CID 10502620) is 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine is CCCN(CC1CC1)c1nc(C)nc(N(C)c2c(Cl)cc(Cl)cc2Cl)c1C.
What is the InChIKey of 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine?
The InChIKey is QNGYAHPJWIACBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl3N4/c1-5-8-27(11-14-6-7-14)20-12(2)19(24-13(3)25-20)26(4)18-16(22)9-15(21)10-17(18)23/h9-10,14H,5-8,11H2,1-4H3.
What are the key properties of 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine?
4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine has a molecular weight of 427.81 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 10502620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).