6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine

C21H24N6O3 — CID 59507868

IUPAC6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C21H24N6O3/c1-28-17-5-4-15(11-18(17)29-2)24-20-12-16(14-3-6-19(22)23-13-14)25-21(26-20)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23)(H,24,25,26)
InChIKeyOOSSPKLMSNQUDC-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.72
Rot. Bonds6

About 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine

6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 59507868) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID59507868
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C21H24N6O3/c1-28-17-5-4-15(11-18(17)29-2)24-20-12-16(14-3-6-19(22)23-13-14)25-21(26-20)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23)(H,24,25,26)
InChIKeyOOSSPKLMSNQUDC-UHFFFAOYSA-N
XLogP2.72
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507630
6-(5,6-dimethoxy-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 126678421
N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 59789810
5-methoxy-N-[6-(6-methyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 71177828
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
6-(6-amino-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-3-one;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine;5-[2-morpholin-4-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 159729779
2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580158
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 59507868) is 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine is COc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1OC.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is OOSSPKLMSNQUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-28-17-5-4-15(11-18(17)29-2)24-20-12-16(14-3-6-19(22)23-13-14)25-21(26-20)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23)(H,24,25,26).
What are the key properties of 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine?
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 408.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59507868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).