2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol

C19H22FN5O2 — CID 166484245

IUPAC2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol
SMILESCOc1ncc(C(C)(C)O)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12
InChIInChI=1S/C19H22FN5O2/c1-18(2,20)17-21-7-6-14(25-17)24-15-8-11-12(9-22-15)16(27-5)23-10-13(11)19(3,4)26/h6-10,26H,1-5H3,(H,21,22,24,25)
InChIKeyONKRWGYFLNUCNH-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.60
Rot. Bonds5

About 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol

2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol (PubChem CID 166484245) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol
PubChem CID166484245
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol
SMILESCOc1ncc(C(C)(C)O)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12
InChIInChI=1S/C19H22FN5O2/c1-18(2,20)17-21-7-6-14(25-17)24-15-8-11-12(9-22-15)16(27-5)23-10-13(11)19(3,4)26/h6-10,26H,1-5H3,(H,21,22,24,25)
InChIKeyONKRWGYFLNUCNH-UHFFFAOYSA-N
XLogP3.60
TPSA93.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-aminopropan-2-yl)-8-ethoxy-N-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2,7-naphthyridin-3-amine
CID 165380877
2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-quinolin-5-one
CID 165381188
N-[4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-5-(6-methoxypyrimidin-4-yl)-2-pyridinyl]acetamide
CID 170730874
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
(8R)-2-[[5-[(1R)-1-cyclopropyl-1-hydroxyethyl]-8-(2,2,2-trifluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166484173
4-(2-azidopropan-2-yl)-6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridine;2-tert-butylpyrimidin-4-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-amine;2-[6-[(2-tert-butylpyrimidin-4-yl)methyl]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol;2-(6-chloro-1-methoxy-2,7-naphthyridin-4-yl)propan-2-ol;methane
CID 167593892
(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-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-ol
CID 166484276
(8R)-2-[[5-(1-cyclopropyl-1-hydroxyethyl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166484179
N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577794
4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
CID 142557248

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol?
The IUPAC name of 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol (CID 166484245) is 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol?
The canonical SMILES for 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol is COc1ncc(C(C)(C)O)c2cc(Nc3ccnc(C(C)(C)F)n3)ncc12.
What is the InChIKey of 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol?
The InChIKey is ONKRWGYFLNUCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-18(2,20)17-21-7-6-14(25-17)24-15-8-11-12(9-22-15)16(27-5)23-10-13(11)19(3,4)26/h6-10,26H,1-5H3,(H,21,22,24,25).
What are the key properties of 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol?
2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol has a molecular weight of 371.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-1-methoxy-2,7-naphthyridin-4-yl]propan-2-ol is sourced from PubChem (CID 166484245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).