2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C21H25F4N5 — CID 134434319

IUPAC2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCN1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(C3CC[C@@H](F)C3)n2)CC1
InChIInChI=1S/C21H25F4N5/c1-30-8-5-13(6-9-30)17-12-19(29-20(27-17)14-2-3-16(22)10-14)28-18-11-15(4-7-26-18)21(23,24)25/h4,7,11-14,16H,2-3,5-6,8-10H2,1H3,(H,26,27,28,29)/t14?,16-/m1/s1
InChIKeyCWSSLDSVSDZABB-BZSJEYESSA-N
MW423.46 g/mol
LogP5.05
Rot. Bonds4

About 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 134434319) has the molecular formula C21H25F4N5 and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID134434319
Molecular FormulaC21H25F4N5
Molecular Weight423.46 g/mol
Exact Mass423.20
IUPAC Name2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCN1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(C3CC[C@@H](F)C3)n2)CC1
InChIInChI=1S/C21H25F4N5/c1-30-8-5-13(6-9-30)17-12-19(29-20(27-17)14-2-3-16(22)10-14)28-18-11-15(4-7-26-18)21(23,24)25/h4,7,11-14,16H,2-3,5-6,8-10H2,1H3,(H,26,27,28,29)/t14?,16-/m1/s1
InChIKeyCWSSLDSVSDZABB-BZSJEYESSA-N
XLogP5.05
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(3-azabicyclo[3.2.1]octan-3-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 155001360
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
4-[1-(2-fluoroethyl)piperidin-4-yl]-6-[(2R)-2-methylpyrrolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90032623
2-(2-oxa-5-azabicyclo[2.2.1]hept-3-en-5-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 134170533
6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 126703044
4-[1-(oxetan-3-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90067501
2-(3,3-dimethylazetidin-1-yl)-6-[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 123767414
2-(3,3-difluoroazetidin-1-yl)-6-[1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 148939649
2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-4-yl-N-(4-propan-2-yl-2-pyridinyl)pyrimidin-4-amine;ethane;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740207
4-(2-fluoro-4-pyridinyl)-6-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]pyridazine
CID 22948755
6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 134434319) is 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is CN1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(C3CC[C@@H](F)C3)n2)CC1.
What is the InChIKey of 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is CWSSLDSVSDZABB-BZSJEYESSA-N. The full InChI is InChI=1S/C21H25F4N5/c1-30-8-5-13(6-9-30)17-12-19(29-20(27-17)14-2-3-16(22)10-14)28-18-11-15(4-7-26-18)21(23,24)25/h4,7,11-14,16H,2-3,5-6,8-10H2,1H3,(H,26,27,28,29)/t14?,16-/m1/s1.
What are the key properties of 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 423.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluorocyclopentyl]-6-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 134434319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).