4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

C16H19F3N4 — CID 112864554

IUPAC4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C16H19F3N4/c1-3-7-23(8-4-2)14-9-13(20-10-21-14)22-12-6-5-11(17)15(18)16(12)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21,22)
InChIKeyBAFHODYWDWGOKG-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.26
Rot. Bonds7

About 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112864554) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID112864554
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C16H19F3N4/c1-3-7-23(8-4-2)14-9-13(20-10-21-14)22-12-6-5-11(17)15(18)16(12)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21,22)
InChIKeyBAFHODYWDWGOKG-UHFFFAOYSA-N
XLogP4.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-(2-pyridin-4-ylethyl)-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112861914
6-N-(2,3-dimethylphenyl)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112864498
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109175957
6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863564
methyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]benzoate
CID 112864531
6-fluoro-N,N-dipropylpyrimidin-4-amine
CID 115416385
1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112864526
6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112862527
N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109339802
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (CID 112864554) is 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is CCCN(CCC)c1cc(Nc2ccc(F)c(F)c2F)ncn1.
What is the InChIKey of 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is BAFHODYWDWGOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c1-3-7-23(8-4-2)14-9-13(20-10-21-14)22-12-6-5-11(17)15(18)16(12)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 324.35 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).