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

C20H25FN6O — CID 165380877

IUPAC5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine
SMILESCCOc1ncc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12
InChIInChI=1S/C20H25FN6O/c1-6-28-17-13-10-24-16(9-12(13)14(11-25-17)20(4,5)22)26-15-7-8-23-18(27-15)19(2,3)21/h7-11H,6,22H2,1-5H3,(H,23,24,26,27)
InChIKeyFLJWIVQGBJDSFM-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.96
Rot. Bonds6

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

5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine (PubChem CID 165380877) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine
PubChem CID165380877
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine
SMILESCCOc1ncc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12
InChIInChI=1S/C20H25FN6O/c1-6-28-17-13-10-24-16(9-12(13)14(11-25-17)20(4,5)22)26-15-7-8-23-18(27-15)19(2,3)21/h7-11H,6,22H2,1-5H3,(H,23,24,26,27)
InChIKeyFLJWIVQGBJDSFM-UHFFFAOYSA-N
XLogP3.96
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol
CID 166484245
(8R)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381092
(8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-8-methyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165381191
2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
CID 165380848
2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one
CID 165381188
2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one
CID 165380864
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one;(7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(trifluoromethyl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167531560
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483938
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-methyloxetan-3-yl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166506465
(8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380909
(7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165117445
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261460

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine?
The IUPAC name of 5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine (CID 165380877) is 5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine?
The canonical SMILES for 5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine is CCOc1ncc(C(C)(C)N)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12.
What is the InChIKey of 5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine?
The InChIKey is FLJWIVQGBJDSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-6-28-17-13-10-24-16(9-12(13)14(11-25-17)20(4,5)22)26-15-7-8-23-18(27-15)19(2,3)21/h7-11H,6,22H2,1-5H3,(H,23,24,26,27).
What are the key properties of 5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine?
5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine has a molecular weight of 384.46 g/mol, XLogP of 3.96, 6 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)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine is sourced from PubChem (CID 165380877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).