4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine

C10H8Cl2N4 — CID 79918000

IUPAC4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N4/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyZXCGMVLXXICNFS-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.11
Rot. Bonds2

About 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine

4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine (PubChem CID 79918000) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
PubChem CID79918000
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2N4/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyZXCGMVLXXICNFS-UHFFFAOYSA-N
XLogP3.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
1-(2-Chlorophenyl)-3-(pyridin-2-yl)thiourea
CID 972361
N2-(3,5-dichlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730357
N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730361
5-[4-(3,4-Dichlorophenyl)piperazin-1-Yl]pyrimidine-2,4-Diamine
CID 122164615
4-[[4-(2,4,6-Trichloroanilino)pyrimidin-2-yl]amino]benzonitrile
CID 488780
6-chloro-N~4~-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 1861859
N-(3-Chlorophenyl)-N'-(2-pyrimidinyl)urea
CID 840362
1-(2,6-Dichlorophenyl)-3-(3-pyridyl)urea
CID 4610559
Bisanilinopyrimidine, 3p
CID 70702128
Bisanilinopyrimidine, 9e
CID 70702152
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865600

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine (CID 79918000) is 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine is Nc1cncnc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine?
The InChIKey is ZXCGMVLXXICNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c11-6-2-1-3-7(12)9(6)16-10-8(13)4-14-5-15-10/h1-5H,13H2,(H,14,15,16).
What are the key properties of 4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine?
4-N-(2,6-dichlorophenyl)pyrimidine-4,5-diamine has a molecular weight of 255.11 g/mol, XLogP of 3.11, 2 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)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).