6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine

C19H23ClF3N5O — CID 69055085

IUPAC6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccccc2OC(F)(F)F)nc(CC2CCC(N)CC2)c1Cl
InChIInChI=1S/C19H23ClF3N5O/c20-16-14(9-11-5-7-13(24)8-6-11)27-18(28-17(16)25)26-10-12-3-1-2-4-15(12)29-19(21,22)23/h1-4,11,13H,5-10,24H2,(H3,25,26,27,28)
InChIKeyRTDWORJVQXRTNB-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.28
Rot. Bonds6

About 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine

6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 69055085) has the molecular formula C19H23ClF3N5O and a molecular weight of 429.87 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID69055085
Molecular FormulaC19H23ClF3N5O
Molecular Weight429.87 g/mol
Exact Mass429.15
IUPAC Name6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccccc2OC(F)(F)F)nc(CC2CCC(N)CC2)c1Cl
InChIInChI=1S/C19H23ClF3N5O/c20-16-14(9-11-5-7-13(24)8-6-11)27-18(28-17(16)25)26-10-12-3-1-2-4-15(12)29-19(21,22)23/h1-4,11,13H,5-10,24H2,(H3,25,26,27,28)
InChIKeyRTDWORJVQXRTNB-UHFFFAOYSA-N
XLogP4.28
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[4-[(4-chloro-1-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 69057949
6-[(4-aminocyclohexyl)methyl]-2-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 69058129
6-[(4-aminocyclohexyl)methyl]-2-N-[(2-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 69061239
6-[(4-aminocyclohexyl)methyl]-2-N-[[2-chloro-3-(dimethylamino)phenyl]methyl]-5-nitropyrimidine-2,4-diamine
CID 69056866
4-[(4-aminocyclohexyl)methylamino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidine-5-carbonitrile;4-[[4-(ethylamino)cyclohexyl]methylamino]-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 87791813
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
4-N-[(4-aminocyclohexyl)methyl]-5-fluoro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;1,4-dibromobutane;5-fluoro-4-N-[(4-pyrrolidin-1-ylcyclohexyl)methyl]-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;methane
CID 159021004
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 133370814
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
CID 68801049
4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;dichloromethane;methane;methanesulfonyl chloride;N-[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide
CID 160837774

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine (CID 69055085) is 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine is Nc1nc(NCc2ccccc2OC(F)(F)F)nc(CC2CCC(N)CC2)c1Cl.
What is the InChIKey of 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is RTDWORJVQXRTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF3N5O/c20-16-14(9-11-5-7-13(24)8-6-11)27-18(28-17(16)25)26-10-12-3-1-2-4-15(12)29-19(21,22)23/h1-4,11,13H,5-10,24H2,(H3,25,26,27,28).
What are the key properties of 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 429.87 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)methyl]-5-chloro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69055085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).