2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol

C27H30N6O — CID 24752922

IUPAC2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(C)(C)O)nn2)cn1
InChIInChI=1S/C27H30N6O/c1-17(2)27(5,21-9-6-18(7-10-21)20-15-30-25(28)31-16-20)24-12-8-19(14-29-24)22-11-13-23(33-32-22)26(3,4)34/h6-17,34H,1-5H3,(H2,28,30,31)
InChIKeyUOLSNOSGOARORW-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.77
Rot. Bonds6

About 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol

2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol (PubChem CID 24752922) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol
PubChem CID24752922
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(C)(C)O)nn2)cn1
InChIInChI=1S/C27H30N6O/c1-17(2)27(5,21-9-6-18(7-10-21)20-15-30-25(28)31-16-20)24-12-8-19(14-29-24)22-11-13-23(33-32-22)26(3,4)34/h6-17,34H,1-5H3,(H2,28,30,31)
InChIKeyUOLSNOSGOARORW-UHFFFAOYSA-N
XLogP4.77
TPSA110.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol (CID 24752922) is 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(C)(C)O)nn2)cn1.
What is the InChIKey of 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol?
The InChIKey is UOLSNOSGOARORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-17(2)27(5,21-9-6-18(7-10-21)20-15-30-25(28)31-16-20)24-12-8-19(14-29-24)22-11-13-23(33-32-22)26(3,4)34/h6-17,34H,1-5H3,(H2,28,30,31).
What are the key properties of 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol?
2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol has a molecular weight of 454.58 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 24752922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).