2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C18H17Cl2N5 — CID 112895691

IUPAC2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H17Cl2N5/c1-25(11-7-13-4-8-21-9-5-13)17-6-10-22-18(24-17)23-14-2-3-15(19)16(20)12-14/h2-6,8-10,12H,7,11H2,1H3,(H,22,23,24)
InChIKeyIBHCQTQJKCPZPV-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.60
Rot. Bonds6

About 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112895691) has the molecular formula C18H17Cl2N5 and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112895691
Molecular FormulaC18H17Cl2N5
Molecular Weight374.28 g/mol
Exact Mass373.09
IUPAC Name2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H17Cl2N5/c1-25(11-7-13-4-8-21-9-5-13)17-6-10-22-18(24-17)23-14-2-3-15(19)16(20)12-14/h2-6,8-10,12H,7,11H2,1H3,(H,22,23,24)
InChIKeyIBHCQTQJKCPZPV-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

Analyze 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895678
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112895671
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887147
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895655
4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890689
2-(3-chloro-4-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309074
2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(3-pyridin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 21080626
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
2-N-(furan-2-ylmethyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889297
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892999
5-chloro-6-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 61257415

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112895691) is 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccncc1)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is IBHCQTQJKCPZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5/c1-25(11-7-13-4-8-21-9-5-13)17-6-10-22-18(24-17)23-14-2-3-15(19)16(20)12-14/h2-6,8-10,12H,7,11H2,1H3,(H,22,23,24).
What are the key properties of 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-(3,4-dichlorophenyl)-4-N-methyl-4-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 2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112895691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).