N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

C23H24N8O — CID 53326636

IUPACN-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESCN(C)c1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H24N8O/c1-30(2)22-25-13-17(14-26-22)20-12-21(29-23(28-20)31-7-9-32-10-8-31)27-18-11-16-5-3-4-6-19(16)24-15-18/h3-6,11-15H,7-10H2,1-2H3,(H,27,28,29)
InChIKeySYUPFOJHEFUMGF-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.13
Rot. Bonds5

About N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (PubChem CID 53326636) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
PubChem CID53326636
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESCN(C)c1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H24N8O/c1-30(2)22-25-13-17(14-26-22)20-12-21(29-23(28-20)31-7-9-32-10-8-31)27-18-11-16-5-3-4-6-19(16)24-15-18/h3-6,11-15H,7-10H2,1-2H3,(H,27,28,29)
InChIKeySYUPFOJHEFUMGF-UHFFFAOYSA-N
XLogP3.13
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 5328360
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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (CID 53326636) is N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is CN(C)c1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The InChIKey is SYUPFOJHEFUMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-30(2)22-25-13-17(14-26-22)20-12-21(29-23(28-20)31-7-9-32-10-8-31)27-18-11-16-5-3-4-6-19(16)24-15-18/h3-6,11-15H,7-10H2,1-2H3,(H,27,28,29).
What are the key properties of N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine has a molecular weight of 428.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 53326636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).