4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine

C16H16F4N4 — CID 156511805

IUPAC4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F
InChIInChI=1S/C16H16F4N4/c1-21-14-13(17)15(23-9-22-14)24(12-6-7-12)8-10-2-4-11(5-3-10)16(18,19)20/h2-5,9,12H,6-8H2,1H3,(H,21,22,23)
InChIKeyUIHDDJKAGPCBBM-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.85
Rot. Bonds5

About 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine (PubChem CID 156511805) has the molecular formula C16H16F4N4 and a molecular weight of 340.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
PubChem CID156511805
Molecular FormulaC16H16F4N4
Molecular Weight340.32 g/mol
Exact Mass340.13
IUPAC Name4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F
InChIInChI=1S/C16H16F4N4/c1-21-14-13(17)15(23-9-22-14)24(12-6-7-12)8-10-2-4-11(5-3-10)16(18,19)20/h2-5,9,12H,6-8H2,1H3,(H,21,22,23)
InChIKeyUIHDDJKAGPCBBM-UHFFFAOYSA-N
XLogP3.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide
CID 118869548
2-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-(hydroxymethyl)cyclohexan-1-ol
CID 158185788
4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol
CID 161473028
[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-4-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 156500573
tert-butyl 4-amino-4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 156511897
4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 156519636
N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 133432221
4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 161042031
4-N-ethyl-5-fluoro-6-N-(piperidin-4-ylmethyl)-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 156792466
2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(3H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 159060680
2-[4-[[[6-[cyclobutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phosphanylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 166976342
tert-butyl 4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 156761820

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine (CID 156511805) is 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine is CNc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F.
What is the InChIKey of 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The InChIKey is UIHDDJKAGPCBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4/c1-21-14-13(17)15(23-9-22-14)24(12-6-7-12)8-10-2-4-11(5-3-10)16(18,19)20/h2-5,9,12H,6-8H2,1H3,(H,21,22,23).
What are the key properties of 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine has a molecular weight of 340.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-fluoro-6-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 156511805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).