4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine

C20H27FN4O2 — CID 91023038

IUPAC4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCOc1cccc(Nc2ncc(F)c(NC3CCC(OCC)CC3)n2)c1
InChIInChI=1S/C20H27FN4O2/c1-3-26-16-10-8-14(9-11-16)23-19-18(21)13-22-20(25-19)24-15-6-5-7-17(12-15)27-4-2/h5-7,12-14,16H,3-4,8-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyFXCDRIFGSWIKQF-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.52
Rot. Bonds8

About 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine

4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 91023038) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID91023038
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCOc1cccc(Nc2ncc(F)c(NC3CCC(OCC)CC3)n2)c1
InChIInChI=1S/C20H27FN4O2/c1-3-26-16-10-8-14(9-11-16)23-19-18(21)13-22-20(25-19)24-15-6-5-7-17(12-15)27-4-2/h5-7,12-14,16H,3-4,8-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyFXCDRIFGSWIKQF-UHFFFAOYSA-N
XLogP4.52
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine with MolForge

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Related Compounds

3-[[4-(cyclopropylamino)-5-fluoropyrimidin-2-yl]amino]benzaldehyde
CID 87314057
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
3-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64755472
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 22060410
6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709115
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
3-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 68665074
2-[3-[[5-fluoro-4-(pyrrol-1-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 174475621
4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 117091195
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71014823
N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine (CID 91023038) is 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine is CCOc1cccc(Nc2ncc(F)c(NC3CCC(OCC)CC3)n2)c1.
What is the InChIKey of 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is FXCDRIFGSWIKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-3-26-16-10-8-14(9-11-16)23-19-18(21)13-22-20(25-19)24-15-6-5-7-17(12-15)27-4-2/h5-7,12-14,16H,3-4,8-11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 374.46 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxycyclohexyl)-2-N-(3-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 91023038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).