(2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol

C21H27N7O2 — CID 167049795

IUPAC(2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12
InChIInChI=1S/C21H27N7O2/c1-4-15(12-29)24-19-18-13(5-7-22-19)10-23-21(27-18)26-17-9-14-11-28(2)8-6-16(14)25-20(17)30-3/h5,7,9-10,15,29H,4,6,8,11-12H2,1-3H3,(H,22,24)(H,23,26,27)/t15-/m1/s1
InChIKeyXJYHUAMAPGNXEG-OAHLLOKOSA-N
MW409.49 g/mol
LogP2.34
Rot. Bonds7

About (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol

(2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol (PubChem CID 167049795) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol
PubChem CID167049795
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name(2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12
InChIInChI=1S/C21H27N7O2/c1-4-15(12-29)24-19-18-13(5-7-22-19)10-23-21(27-18)26-17-9-14-11-28(2)8-6-16(14)25-20(17)30-3/h5,7,9-10,15,29H,4,6,8,11-12H2,1-3H3,(H,22,24)(H,23,26,27)/t15-/m1/s1
InChIKeyXJYHUAMAPGNXEG-OAHLLOKOSA-N
XLogP2.34
TPSA108.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol (CID 167049795) is (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nccc2cnc(Nc3cc4c(nc3OC)CCN(C)C4)nc12.
What is the InChIKey of (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol?
The InChIKey is XJYHUAMAPGNXEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-4-15(12-29)24-19-18-13(5-7-22-19)10-23-21(27-18)26-17-9-14-11-28(2)8-6-16(14)25-20(17)30-3/h5,7,9-10,15,29H,4,6,8,11-12H2,1-3H3,(H,22,24)(H,23,26,27)/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol?
(2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol has a molecular weight of 409.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]butan-1-ol is sourced from PubChem (CID 167049795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).