4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C20H20F3N5 — CID 175858875

IUPAC4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1Nc1ccc2ccccc2c1
InChIInChI=1S/C20H20F3N5/c21-20(22,23)17-12-25-19(27-16-6-3-9-24-11-16)28-18(17)26-15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,12,16,24H,3,6,9,11H2,(H2,25,26,27,28)/t16-/m0/s1
InChIKeyLLOLZPISTGXIRX-INIZCTEOSA-N
MW387.41 g/mol
LogP4.56
Rot. Bonds4

About 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 175858875) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID175858875
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1Nc1ccc2ccccc2c1
InChIInChI=1S/C20H20F3N5/c21-20(22,23)17-12-25-19(27-16-6-3-9-24-11-16)28-18(17)26-15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,12,16,24H,3,6,9,11H2,(H2,25,26,27,28)/t16-/m0/s1
InChIKeyLLOLZPISTGXIRX-INIZCTEOSA-N
XLogP4.56
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(3-dimethylphosphorylphenyl)-2-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171102683
2-[[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]quinoline-3-carbonitrile
CID 175858862
4-N-(6-phenyl-2-pyridinyl)-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175858828
4-N-(1,3-benzothiazol-2-yl)-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175858793
2-[[2-(piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 171102573
3-hydroxy-3-methyl-1-[6-[[4-[[(3R)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butan-2-one
CID 169102763
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71014823
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
N-[(3S)-piperidin-3-yl]-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171102501
4-N-cyclopropyl-2-N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 156831501
N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171102453
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 175858875) is 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1Nc1ccc2ccccc2c1.
What is the InChIKey of 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is LLOLZPISTGXIRX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20F3N5/c21-20(22,23)17-12-25-19(27-16-6-3-9-24-11-16)28-18(17)26-15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,12,16,24H,3,6,9,11H2,(H2,25,26,27,28)/t16-/m0/s1.
What are the key properties of 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 387.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175858875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).