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

C19H20FN7O2 — CID 170730250

IUPACN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
SMILESCOc1nccc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(C)F)n2)n1
InChIInChI=1S/C19H20FN7O2/c1-11(28)24-16-9-14(25-15-6-8-21-17(27-15)19(2,3)20)12(10-23-16)13-5-7-22-18(26-13)29-4/h5-10H,1-4H3,(H2,21,23,24,25,27,28)
InChIKeyDIPRBZANVANPNB-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.24
Rot. Bonds6

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

N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide (PubChem CID 170730250) 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-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
PubChem CID170730250
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC NameN-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
SMILESCOc1nccc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(C)F)n2)n1
InChIInChI=1S/C19H20FN7O2/c1-11(28)24-16-9-14(25-15-6-8-21-17(27-15)19(2,3)20)12(10-23-16)13-5-7-22-18(26-13)29-4/h5-10H,1-4H3,(H2,21,23,24,25,27,28)
InChIKeyDIPRBZANVANPNB-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide (CID 170730250) is N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide is COc1nccc(-c2cnc(NC(C)=O)cc2Nc2ccnc(C(C)(C)F)n2)n1.
What is the InChIKey of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide?
The InChIKey is DIPRBZANVANPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-11(28)24-16-9-14(25-15-6-8-21-17(27-15)19(2,3)20)12(10-23-16)13-5-7-22-18(26-13)29-4/h5-10H,1-4H3,(H2,21,23,24,25,27,28).
What are the key properties of N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(2-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-(2-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).