methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate

C20H21F2N7O2 — CID 146583274

IUPACmethyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate
SMILESCCNc1cc(Nc2ccnc(C(C)(F)F)c2)nc(-c2cccc(NC(=O)OC)n2)n1
InChIInChI=1S/C20H21F2N7O2/c1-4-23-16-11-17(25-12-8-9-24-14(10-12)20(2,21)22)28-18(27-16)13-6-5-7-15(26-13)29-19(30)31-3/h5-11H,4H2,1-3H3,(H,26,29,30)(H2,23,24,25,27,28)
InChIKeyOXSJPKPYCGOFDO-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.40
Rot. Bonds7

About methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate

methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate (PubChem CID 146583274) has the molecular formula C20H21F2N7O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate
PubChem CID146583274
Molecular FormulaC20H21F2N7O2
Molecular Weight429.43 g/mol
Exact Mass429.17
IUPAC Namemethyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate
SMILESCCNc1cc(Nc2ccnc(C(C)(F)F)c2)nc(-c2cccc(NC(=O)OC)n2)n1
InChIInChI=1S/C20H21F2N7O2/c1-4-23-16-11-17(25-12-8-9-24-14(10-12)20(2,21)22)28-18(27-16)13-6-5-7-15(26-13)29-19(30)31-3/h5-11H,4H2,1-3H3,(H,26,29,30)(H2,23,24,25,27,28)
InChIKeyOXSJPKPYCGOFDO-UHFFFAOYSA-N
XLogP4.40
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

methyl 2-[6-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]-6-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-2-yl]-2-pyridinyl]acetate
CID 159787097
methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate
CID 126484459
3-[[4-(6-chloro-2-pyridinyl)-6-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 166015400
methyl N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170576912
6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-(2-methylbutyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146867881
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 70695604
6-N-[2-(isocyanomethyl)-4-pyridinyl]-4-N-propan-2-yl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 140720940
6-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyridin-2-amine
CID 10682283
2-methyl-1-[methyl-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 122677416
1-[ethyl-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 149101646
N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]-5-(5-fluoropyrimidin-2-yl)-2-pyridinyl]acetamide
CID 170730841

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate (CID 146583274) is methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate is CCNc1cc(Nc2ccnc(C(C)(F)F)c2)nc(-c2cccc(NC(=O)OC)n2)n1.
What is the InChIKey of methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate?
The InChIKey is OXSJPKPYCGOFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O2/c1-4-23-16-11-17(25-12-8-9-24-14(10-12)20(2,21)22)28-18(27-16)13-6-5-7-15(26-13)29-19(30)31-3/h5-11H,4H2,1-3H3,(H,26,29,30)(H2,23,24,25,27,28).
What are the key properties of methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate?
methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate has a molecular weight of 429.43 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(ethylamino)pyrimidin-2-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 146583274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).