N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

C16H19F2N5O3 — CID 175990758

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCOCCOc1cc(Nc2ccnc(NC(C)=O)c2)nc(C(C)(F)F)n1
InChIInChI=1S/C16H19F2N5O3/c1-10(24)20-12-8-11(4-5-19-12)21-13-9-14(26-7-6-25-3)23-15(22-13)16(2,17)18/h4-5,8-9H,6-7H2,1-3H3,(H2,19,20,21,22,23,24)
InChIKeyVAOVTTOOIREJBT-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.71
Rot. Bonds8

About N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 175990758) has the molecular formula C16H19F2N5O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID175990758
Molecular FormulaC16H19F2N5O3
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCOCCOc1cc(Nc2ccnc(NC(C)=O)c2)nc(C(C)(F)F)n1
InChIInChI=1S/C16H19F2N5O3/c1-10(24)20-12-8-11(4-5-19-12)21-13-9-14(26-7-6-25-3)23-15(22-13)16(2,17)18/h4-5,8-9H,6-7H2,1-3H3,(H2,19,20,21,22,23,24)
InChIKeyVAOVTTOOIREJBT-UHFFFAOYSA-N
XLogP2.71
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (CID 175990758) is N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is COCCOc1cc(Nc2ccnc(NC(C)=O)c2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is VAOVTTOOIREJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O3/c1-10(24)20-12-8-11(4-5-19-12)21-13-9-14(26-7-6-25-3)23-15(22-13)16(2,17)18/h4-5,8-9H,6-7H2,1-3H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 367.36 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 175990758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).