N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide

C16H19F3N6O — CID 123439217

IUPACN-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide
SMILESCCNc1nc(CCNC(C)=O)cc(Nc2cc(C(F)(F)F)ccn2)n1
InChIInChI=1S/C16H19F3N6O/c1-3-20-15-23-12(5-7-21-10(2)26)9-14(25-15)24-13-8-11(4-6-22-13)16(17,18)19/h4,6,8-9H,3,5,7H2,1-2H3,(H,21,26)(H2,20,22,23,24,25)
InChIKeyCUEPFGVVGIEUGT-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.74
Rot. Bonds7

About N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide

N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide (PubChem CID 123439217) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide
PubChem CID123439217
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC NameN-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide
SMILESCCNc1nc(CCNC(C)=O)cc(Nc2cc(C(F)(F)F)ccn2)n1
InChIInChI=1S/C16H19F3N6O/c1-3-20-15-23-12(5-7-21-10(2)26)9-14(25-15)24-13-8-11(4-6-22-13)16(17,18)19/h4,6,8-9H,3,5,7H2,1-2H3,(H,21,26)(H2,20,22,23,24,25)
InChIKeyCUEPFGVVGIEUGT-UHFFFAOYSA-N
XLogP2.74
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide (CID 123439217) is N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide is CCNc1nc(CCNC(C)=O)cc(Nc2cc(C(F)(F)F)ccn2)n1.
What is the InChIKey of N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide?
The InChIKey is CUEPFGVVGIEUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-3-20-15-23-12(5-7-21-10(2)26)9-14(25-15)24-13-8-11(4-6-22-13)16(17,18)19/h4,6,8-9H,3,5,7H2,1-2H3,(H,21,26)(H2,20,22,23,24,25).
What are the key properties of N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide?
N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylamino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 123439217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).