4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine

C14H16Cl2N4 — CID 112907386

IUPAC4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(Cl)cccc2Cl)nc(NC(C)C)n1
InChIInChI=1S/C14H16Cl2N4/c1-8(2)17-14-18-9(3)7-12(20-14)19-13-10(15)5-4-6-11(13)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyXYMNFSJOYACWMT-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.66
Rot. Bonds4

About 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine

4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112907386) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112907386
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(Cl)cccc2Cl)nc(NC(C)C)n1
InChIInChI=1S/C14H16Cl2N4/c1-8(2)17-14-18-9(3)7-12(20-14)19-13-10(15)5-4-6-11(13)16/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyXYMNFSJOYACWMT-UHFFFAOYSA-N
XLogP4.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907174
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846976
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112910660
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112932237
2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112908448
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925569
2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 70823675
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315
4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
CID 53385565
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907159
2-(2,6-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319628
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112907386) is 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(Nc2c(Cl)cccc2Cl)nc(NC(C)C)n1.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is XYMNFSJOYACWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-8(2)17-14-18-9(3)7-12(20-14)19-13-10(15)5-4-6-11(13)16/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).