2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine

C7H9ClF2N4 — CID 99985838

IUPAC2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine
SMILESCCNc1nc(Cl)nc(C(F)F)c1N
InChIInChI=1S/C7H9ClF2N4/c1-2-12-6-3(11)4(5(9)10)13-7(8)14-6/h5H,2,11H2,1H3,(H,12,13,14)
InChIKeyMGSCRGXEXRKBFO-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.08
Rot. Bonds3

About 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine

2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine (PubChem CID 99985838) has the molecular formula C7H9ClF2N4 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine
PubChem CID99985838
Molecular FormulaC7H9ClF2N4
Molecular Weight222.63 g/mol
Exact Mass222.05
IUPAC Name2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine
SMILESCCNc1nc(Cl)nc(C(F)F)c1N
InChIInChI=1S/C7H9ClF2N4/c1-2-12-6-3(11)4(5(9)10)13-7(8)14-6/h5H,2,11H2,1H3,(H,12,13,14)
InChIKeyMGSCRGXEXRKBFO-UHFFFAOYSA-N
XLogP2.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine (CID 99985838) is 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine is CCNc1nc(Cl)nc(C(F)F)c1N.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine?
The InChIKey is MGSCRGXEXRKBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N4/c1-2-12-6-3(11)4(5(9)10)13-7(8)14-6/h5H,2,11H2,1H3,(H,12,13,14).
What are the key properties of 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine?
2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine has a molecular weight of 222.63 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 99985838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).