N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C15H20F3N3O2 — CID 97018368

IUPACN,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)n1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)13-5-6-19-14(20-13)21(9-11-3-1-7-22-11)10-12-4-2-8-23-12/h5-6,11-12H,1-4,7-10H2/t11-,12-/m0/s1
InChIKeyDYCKMWYECSLVKX-RYUDHWBXSA-N
MW331.34 g/mol
LogP2.66
Rot. Bonds5

About N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 97018368) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID97018368
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)n1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)13-5-6-19-14(20-13)21(9-11-3-1-7-22-11)10-12-4-2-8-23-12/h5-6,11-12H,1-4,7-10H2/t11-,12-/m0/s1
InChIKeyDYCKMWYECSLVKX-RYUDHWBXSA-N
XLogP2.66
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432365
4-{2-[(4-Methylpyrimidin-2-YL)oxy]hex-5-EN-1-YL}-1,4-oxazepane
CID 56913523
4-[4-(Trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2809218
[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 47084461
5-[4-(Trifluoromethyl)pyrimidin-2-yl]-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine
CID 53618814
4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine
CID 86802449
4-[(2S)-2-(4-methylpyrimidin-2-yl)oxyhex-5-enyl]-1,4-oxazepane
CID 95895732
N,N,N'-trimethyl-N'-[(2S)-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyhex-5-enyl]ethane-1,2-diamine
CID 95897359
(5S)-7-(4-methylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 97597976
2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 164630287
1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 64586057
2-Pentoxy-4-(trifluoromethyl)pyrimidine
CID 70883374

Frequently Asked Questions

What is the IUPAC name of N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 97018368) is N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)n1.
What is the InChIKey of N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DYCKMWYECSLVKX-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)13-5-6-19-14(20-13)21(9-11-3-1-7-22-11)10-12-4-2-8-23-12/h5-6,11-12H,1-4,7-10H2/t11-,12-/m0/s1.
What are the key properties of N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 331.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 97018368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).