3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol

C20H28N6O2 — CID 123278214

IUPAC3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
SMILESCCCCC(CCO)Nc1nc(N)ncc1OCc1nn(C)c2ccccc12
InChIInChI=1S/C20H28N6O2/c1-3-4-7-14(10-11-27)23-19-18(12-22-20(21)24-19)28-13-16-15-8-5-6-9-17(15)26(2)25-16/h5-6,8-9,12,14,27H,3-4,7,10-11,13H2,1-2H3,(H3,21,22,23,24)
InChIKeyAKWWKKKTQMEWJB-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.88
Rot. Bonds10

About 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol

3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol (PubChem CID 123278214) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
PubChem CID123278214
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
SMILESCCCCC(CCO)Nc1nc(N)ncc1OCc1nn(C)c2ccccc12
InChIInChI=1S/C20H28N6O2/c1-3-4-7-14(10-11-27)23-19-18(12-22-20(21)24-19)28-13-16-15-8-5-6-9-17(15)26(2)25-16/h5-6,8-9,12,14,27H,3-4,7,10-11,13H2,1-2H3,(H3,21,22,23,24)
InChIKeyAKWWKKKTQMEWJB-UHFFFAOYSA-N
XLogP2.88
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol with MolForge

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Related Compounds

(3S)-3-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 70856096
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 130353425
2-[[2-amino-5-[(1,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 134569163
(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
CID 135252916
2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one
CID 123296948
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
2-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 135229115
3-[[2-amino-5-[3-(4-ethylphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 135229069
3-butyl-1-methylindazole;ethane;3-(1-methylindazol-3-yl)propan-1-ol
CID 91002928
(3S)-3-[[2-ethenyl-5-(isoquinolin-3-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 134569189
(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 157246122

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol?
The IUPAC name of 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol (CID 123278214) is 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol.
What is the SMILES notation for 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol?
The canonical SMILES for 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol is CCCCC(CCO)Nc1nc(N)ncc1OCc1nn(C)c2ccccc12.
What is the InChIKey of 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol?
The InChIKey is AKWWKKKTQMEWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-3-4-7-14(10-11-27)23-19-18(12-22-20(21)24-19)28-13-16-15-8-5-6-9-17(15)26(2)25-16/h5-6,8-9,12,14,27H,3-4,7,10-11,13H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol?
3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol has a molecular weight of 384.48 g/mol, XLogP of 2.88, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol is sourced from PubChem (CID 123278214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).