5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine

C19H23FN6O — CID 165381136

IUPAC5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine
SMILESCOc1ncc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12
InChIInChI=1S/C19H23FN6O/c1-18(2,20)17-22-7-6-14(26-17)25-15-8-11-12(9-23-15)16(27-5)24-10-13(11)19(3,4)21/h6-10H,21H2,1-5H3,(H,22,23,25,26)
InChIKeyZICMZFJTQIDOLN-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.57
Rot. Bonds5

About 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine

5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine (PubChem CID 165381136) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine
PubChem CID165381136
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine
SMILESCOc1ncc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12
InChIInChI=1S/C19H23FN6O/c1-18(2,20)17-22-7-6-14(26-17)25-15-8-11-12(9-23-15)16(27-5)24-10-13(11)19(3,4)21/h6-10H,21H2,1-5H3,(H,22,23,25,26)
InChIKeyZICMZFJTQIDOLN-UHFFFAOYSA-N
XLogP3.57
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine?
The IUPAC name of 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine (CID 165381136) is 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine?
The canonical SMILES for 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine is COc1ncc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12.
What is the InChIKey of 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine?
The InChIKey is ZICMZFJTQIDOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-18(2,20)17-22-7-6-14(26-17)25-15-8-11-12(9-23-15)16(27-5)24-10-13(11)19(3,4)21/h6-10H,21H2,1-5H3,(H,22,23,25,26).
What are the key properties of 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine?
5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine has a molecular weight of 370.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-8-methoxy-2,7-naphthyridin-3-amine is sourced from PubChem (CID 165381136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).