2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C17H22Cl2N4 — CID 112908546

IUPAC2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCC(C)C)nc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H22Cl2N4/c1-11(2)10-21-16-8-12(3)22-17(23-16)20-7-6-13-4-5-14(18)9-15(13)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,20,21,22,23)
InChIKeyKAKVUOIOBLVUQY-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.81
Rot. Bonds7

About 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112908546) has the molecular formula C17H22Cl2N4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112908546
Molecular FormulaC17H22Cl2N4
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCC(C)C)nc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H22Cl2N4/c1-11(2)10-21-16-8-12(3)22-17(23-16)20-7-6-13-4-5-14(18)9-15(13)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,20,21,22,23)
InChIKeyKAKVUOIOBLVUQY-UHFFFAOYSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112915519
2-N-[2-(2-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908501
4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908693
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910046
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785018
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
4-[2-[2-(2,4-dichlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112914534
2-N-tert-butyl-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908535
2-N-(2-chloro-4,6-dimethylphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908583

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112908546) is 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is Cc1cc(NCC(C)C)nc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is KAKVUOIOBLVUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4/c1-11(2)10-21-16-8-12(3)22-17(23-16)20-7-6-13-4-5-14(18)9-15(13)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 353.30 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112908546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).