N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide

C19H20FN7O2 — CID 170730874

IUPACN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
SMILESCOc1cc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(C)F)n2)ncn1
InChIInChI=1S/C19H20FN7O2/c1-11(28)25-16-7-14(26-15-5-6-21-18(27-15)19(2,3)20)12(9-22-16)13-8-17(29-4)24-10-23-13/h5-10H,1-4H3,(H2,21,22,25,26,27,28)
InChIKeyHUQMZSDQMMQPDZ-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.24
Rot. Bonds6

About N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide

N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide (PubChem CID 170730874) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
PubChem CID170730874
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC NameN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
SMILESCOc1cc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(C)F)n2)ncn1
InChIInChI=1S/C19H20FN7O2/c1-11(28)25-16-7-14(26-15-5-6-21-18(27-15)19(2,3)20)12(9-22-16)13-8-17(29-4)24-10-23-13/h5-10H,1-4H3,(H2,21,22,25,26,27,28)
InChIKeyHUQMZSDQMMQPDZ-UHFFFAOYSA-N
XLogP3.24
TPSA114.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(difluoromethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
CID 175990883
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide
CID 170730438
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 170730270
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(oxetan-3-yloxy)pyrazin-2-yl]-2-pyridinyl]acetamide
CID 175990787
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(3-methoxy-3-methylazetidin-1-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
CID 170731127
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(3-methoxypyrrolidin-1-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
CID 170730554
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
CID 170730382
N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 175990672
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[2-(methoxymethyl)pyrimidin-4-yl]-2-pyridinyl]acetamide
CID 170730709
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[2-(2-morpholin-4-ylethyl)triazol-4-yl]-2-pyridinyl]acetamide
CID 175990844

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide (CID 170730874) is N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide is COc1cc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(C)F)n2)ncn1.
What is the InChIKey of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide?
The InChIKey is HUQMZSDQMMQPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-11(28)25-16-7-14(26-15-5-6-21-18(27-15)19(2,3)20)12(9-22-16)13-8-17(29-4)24-10-23-13/h5-10H,1-4H3,(H2,21,22,25,26,27,28).
What are the key properties of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide has a molecular weight of 397.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).