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

C19H20FN7O — CID 170730229

IUPACN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(C)F)n2)c(-c2cc(C)ncn2)cn1
InChIInChI=1S/C19H20FN7O/c1-11-7-14(24-10-23-11)13-9-22-17(25-12(2)28)8-15(13)26-16-5-6-21-18(27-16)19(3,4)20/h5-10H,1-4H3,(H2,21,22,25,26,27,28)
InChIKeyARPUYCWOFMRMAG-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.54
Rot. Bonds5

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

N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide (PubChem CID 170730229) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide
PubChem CID170730229
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC NameN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(C)F)n2)c(-c2cc(C)ncn2)cn1
InChIInChI=1S/C19H20FN7O/c1-11-7-14(24-10-23-11)13-9-22-17(25-12(2)28)8-15(13)26-16-5-6-21-18(27-16)19(3,4)20/h5-10H,1-4H3,(H2,21,22,25,26,27,28)
InChIKeyARPUYCWOFMRMAG-UHFFFAOYSA-N
XLogP3.54
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide (CID 170730229) is N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2ccnc(C(C)(C)F)n2)c(-c2cc(C)ncn2)cn1.
What is the InChIKey of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide?
The InChIKey is ARPUYCWOFMRMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-11-7-14(24-10-23-11)13-9-22-17(25-12(2)28)8-15(13)26-16-5-6-21-18(27-16)19(3,4)20/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-methylpyrimidin-4-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]acetamide has a molecular weight of 381.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-methylpyrimidin-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).