4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride

C11H11ClF2N4 — CID 2730124

IUPAC4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCc1cc(Nc2ccc(F)cc2F)nc(N)n1.Cl
InChIInChI=1S/C11H10F2N4.ClH/c1-6-4-10(17-11(14)15-6)16-9-3-2-7(12)5-8(9)13;/h2-5H,1H3,(H3,14,15,16,17);1H
InChIKeySSHWJUABSCNJIO-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.81
Rot. Bonds2

About 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride

4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 2730124) has the molecular formula C11H11ClF2N4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
PubChem CID2730124
Molecular FormulaC11H11ClF2N4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCc1cc(Nc2ccc(F)cc2F)nc(N)n1.Cl
InChIInChI=1S/C11H10F2N4.ClH/c1-6-4-10(17-11(14)15-6)16-9-3-2-7(12)5-8(9)13;/h2-5H,1H3,(H3,14,15,16,17);1H
InChIKeySSHWJUABSCNJIO-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride (CID 2730124) is 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride is Cc1cc(Nc2ccc(F)cc2F)nc(N)n1.Cl.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is SSHWJUABSCNJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4.ClH/c1-6-4-10(17-11(14)15-6)16-9-3-2-7(12)5-8(9)13;/h2-5H,1H3,(H3,14,15,16,17);1H.
What are the key properties of 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride?
4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 272.69 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 2730124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).