4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C18H17Cl2N5 — CID 112895807

IUPAC4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1nccc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H17Cl2N5/c1-25(11-7-13-4-8-21-9-5-13)18-22-10-6-17(24-18)23-16-3-2-14(19)12-15(16)20/h2-6,8-10,12H,7,11H2,1H3,(H,22,23,24)
InChIKeyBEXQVUHORHFPDA-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.60
Rot. Bonds6

About 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112895807) has the molecular formula C18H17Cl2N5 and a molecular weight of 374.28 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112895807
Molecular FormulaC18H17Cl2N5
Molecular Weight374.28 g/mol
Exact Mass373.09
IUPAC Name4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1nccc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H17Cl2N5/c1-25(11-7-13-4-8-21-9-5-13)18-22-10-6-17(24-18)23-16-3-2-14(19)12-15(16)20/h2-6,8-10,12H,7,11H2,1H3,(H,22,23,24)
InChIKeyBEXQVUHORHFPDA-UHFFFAOYSA-N
XLogP4.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895775
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112895803
4-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882249
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250
4-N-benzyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889417
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895350
4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873662
4-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889124
5-N-(4-bromo-2-methylphenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954791
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112861914
6-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861905
2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895691

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112895807) is 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccncc1)c1nccc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is BEXQVUHORHFPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5/c1-25(11-7-13-4-8-21-9-5-13)18-22-10-6-17(24-18)23-16-3-2-14(19)12-15(16)20/h2-6,8-10,12H,7,11H2,1H3,(H,22,23,24).
What are the key properties of 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 374.28 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112895807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).