4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine

C19H26ClFN4O — CID 155559510

IUPAC4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N(CC(C)C)CC(C)C)ncc2F)cc1Cl
InChIInChI=1S/C19H26ClFN4O/c1-12(2)10-25(11-13(3)4)19-22-9-16(21)18(24-19)23-14-6-7-17(26-5)15(20)8-14/h6-9,12-13H,10-11H2,1-5H3,(H,22,23,24)
InChIKeyDWVCDIMZINSTNN-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.14
Rot. Bonds8

About 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine

4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 155559510) has the molecular formula C19H26ClFN4O and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID155559510
Molecular FormulaC19H26ClFN4O
Molecular Weight380.90 g/mol
Exact Mass380.18
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N(CC(C)C)CC(C)C)ncc2F)cc1Cl
InChIInChI=1S/C19H26ClFN4O/c1-12(2)10-25(11-13(3)4)19-22-9-16(21)18(24-19)23-14-6-7-17(26-5)15(20)8-14/h6-9,12-13H,10-11H2,1-5H3,(H,22,23,24)
InChIKeyDWVCDIMZINSTNN-UHFFFAOYSA-N
XLogP5.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]propan-1-ol
CID 155546160
5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25187810
2-chloro-5-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22061152
5-fluoro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773415
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
4-[[4-[3-chloro-4-(trifluoromethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]-2-methoxy-N-methylbenzenesulfonamide
CID 25123668
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108501268
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272
5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112958361
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
4-N-(6,7-difluoroquinolin-3-yl)-2-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 176696628

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (CID 155559510) is 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(N(CC(C)C)CC(C)C)ncc2F)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is DWVCDIMZINSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN4O/c1-12(2)10-25(11-13(3)4)19-22-9-16(21)18(24-19)23-14-6-7-17(26-5)15(20)8-14/h6-9,12-13H,10-11H2,1-5H3,(H,22,23,24).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 380.90 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-N,2-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155559510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).