6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine

C11H10ClFN4 — CID 14022412

IUPAC6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCc1cccc(F)c1
InChIInChI=1S/C11H10ClFN4/c12-10-9(14)11(17-6-16-10)15-5-7-2-1-3-8(13)4-7/h1-4,6H,5,14H2,(H,15,16,17)
InChIKeyUQTYUISTOINPIB-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.46
Rot. Bonds3

About 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine

6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine (PubChem CID 14022412) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine
PubChem CID14022412
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCc1cccc(F)c1
InChIInChI=1S/C11H10ClFN4/c12-10-9(14)11(17-6-16-10)15-5-7-2-1-3-8(13)4-7/h1-4,6H,5,14H2,(H,15,16,17)
InChIKeyUQTYUISTOINPIB-UHFFFAOYSA-N
XLogP2.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 62663421
3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
4-N-[(3-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80771132
6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
CID 55134343
6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine
CID 63248168
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901321
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
CID 102983663
4-N-[(3-fluorophenyl)methyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 112726833
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 113229570
6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544898

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine (CID 14022412) is 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine is Nc1c(Cl)ncnc1NCc1cccc(F)c1.
What is the InChIKey of 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is UQTYUISTOINPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c12-10-9(14)11(17-6-16-10)15-5-7-2-1-3-8(13)4-7/h1-4,6H,5,14H2,(H,15,16,17).
What are the key properties of 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 252.68 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 14022412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).