4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C17H15Cl2N5 — CID 112873662

IUPAC4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccncc2)cc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H15Cl2N5/c1-11-22-16(21-10-12-4-6-20-7-5-12)9-17(23-11)24-15-3-2-13(18)8-14(15)19/h2-9H,10H2,1H3,(H2,21,22,23,24)
InChIKeyAFCHNFAHTMPPLL-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.84
Rot. Bonds5

About 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112873662) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112873662
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccncc2)cc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H15Cl2N5/c1-11-22-16(21-10-12-4-6-20-7-5-12)9-17(23-11)24-15-3-2-13(18)8-14(15)19/h2-9H,10H2,1H3,(H2,21,22,23,24)
InChIKeyAFCHNFAHTMPPLL-UHFFFAOYSA-N
XLogP4.84
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873603
4-N-(5-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873602
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873604
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919954
4-N-(2,4-dichlorophenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872879
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872962
4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860950
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112872572
2-[[6-[(4-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112872762
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
4-N-tert-butyl-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872702
4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112868253

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112873662) is 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is Cc1nc(NCc2ccncc2)cc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is AFCHNFAHTMPPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c1-11-22-16(21-10-12-4-6-20-7-5-12)9-17(23-11)24-15-3-2-13(18)8-14(15)19/h2-9H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 360.25 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).