N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide

C22H24N6O2 — CID 67987785

IUPACN-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
SMILESCc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)ccc1N
InChIInChI=1S/C22H24N6O2/c1-14-18(23)6-7-19(27-14)28-20(29)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(24)26-13-16/h2-7,12-13H,8-11,23H2,1H3,(H2,24,25,26)(H,27,28,29)
InChIKeyBPJQKEDIODTSOO-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.70
Rot. Bonds4

About N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide

N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide (PubChem CID 67987785) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
PubChem CID67987785
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
SMILESCc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)ccc1N
InChIInChI=1S/C22H24N6O2/c1-14-18(23)6-7-19(27-14)28-20(29)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(24)26-13-16/h2-7,12-13H,8-11,23H2,1H3,(H2,24,25,26)(H,27,28,29)
InChIKeyBPJQKEDIODTSOO-UHFFFAOYSA-N
XLogP2.70
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide (CID 67987785) is N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide is Cc1nc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)ccc1N.
What is the InChIKey of N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide?
The InChIKey is BPJQKEDIODTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-18(23)6-7-19(27-14)28-20(29)22(8-10-30-11-9-22)17-4-2-15(3-5-17)16-12-25-21(24)26-13-16/h2-7,12-13H,8-11,23H2,1H3,(H2,24,25,26)(H,27,28,29).
What are the key properties of N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide?
N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 67987785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).