2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C16H21F3N6O — CID 128977699

IUPAC2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C16H21F3N6O/c1-4-25-7-6-20-14(25)13-10(5-8-26-13)21-15-22-11(16(17,18)19)9-12(23-15)24(2)3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,21,22,23)/t10-,13-/m0/s1
InChIKeyDSFBGLSINRWCCM-GWCFXTLKSA-N
MW370.38 g/mol
LogP2.72
Rot. Bonds5

About 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 128977699) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID128977699
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C16H21F3N6O/c1-4-25-7-6-20-14(25)13-10(5-8-26-13)21-15-22-11(16(17,18)19)9-12(23-15)24(2)3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,21,22,23)/t10-,13-/m0/s1
InChIKeyDSFBGLSINRWCCM-GWCFXTLKSA-N
XLogP2.72
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 128977699) is 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCn1ccnc1[C@H]1OCC[C@@H]1Nc1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DSFBGLSINRWCCM-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-4-25-7-6-20-14(25)13-10(5-8-26-13)21-15-22-11(16(17,18)19)9-12(23-15)24(2)3/h6-7,9-10,13H,4-5,8H2,1-3H3,(H,21,22,23)/t10-,13-/m0/s1.
What are the key properties of 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 370.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 128977699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).