4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine

C24H27N7O — CID 68983892

IUPAC4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3cnc4c(c3)OCCN4)n2)ccc1N1C[C@@H]2C[C@H]1CN2C
InChIInChI=1S/C24H27N7O/c1-15-9-17(3-4-21(15)31-14-18-11-19(31)13-30(18)2)28-24-26-6-5-20(29-24)16-10-22-23(27-12-16)25-7-8-32-22/h3-6,9-10,12,18-19H,7-8,11,13-14H2,1-2H3,(H,25,27)(H,26,28,29)/t18-,19-/m0/s1
InChIKeySGAJDYPHRNCUNH-OALUTQOASA-N
MW429.53 g/mol
LogP3.29
Rot. Bonds4

About 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine

4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 68983892) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine
PubChem CID68983892
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3cnc4c(c3)OCCN4)n2)ccc1N1C[C@@H]2C[C@H]1CN2C
InChIInChI=1S/C24H27N7O/c1-15-9-17(3-4-21(15)31-14-18-11-19(31)13-30(18)2)28-24-26-6-5-20(29-24)16-10-22-23(27-12-16)25-7-8-32-22/h3-6,9-10,12,18-19H,7-8,11,13-14H2,1-2H3,(H,25,27)(H,26,28,29)/t18-,19-/m0/s1
InChIKeySGAJDYPHRNCUNH-OALUTQOASA-N
XLogP3.29
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine (CID 68983892) is 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3cnc4c(c3)OCCN4)n2)ccc1N1C[C@@H]2C[C@H]1CN2C.
What is the InChIKey of 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine?
The InChIKey is SGAJDYPHRNCUNH-OALUTQOASA-N. The full InChI is InChI=1S/C24H27N7O/c1-15-9-17(3-4-21(15)31-14-18-11-19(31)13-30(18)2)28-24-26-6-5-20(29-24)16-10-22-23(27-12-16)25-7-8-32-22/h3-6,9-10,12,18-19H,7-8,11,13-14H2,1-2H3,(H,25,27)(H,26,28,29)/t18-,19-/m0/s1.
What are the key properties of 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine?
4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 429.53 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 68983892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).