6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine

C20H22N6O — CID 71177854

IUPAC6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
SMILESCNc1ccc(-c2cc(Nc3ccccc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H22N6O/c1-21-18-8-7-15(14-22-18)17-13-19(23-16-5-3-2-4-6-16)25-20(24-17)26-9-11-27-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,21,22)(H,23,24,25)
InChIKeyVWRFWHHSHQBTKF-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.16
Rot. Bonds5

About 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine

6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine (PubChem CID 71177854) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
PubChem CID71177854
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
SMILESCNc1ccc(-c2cc(Nc3ccccc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H22N6O/c1-21-18-8-7-15(14-22-18)17-13-19(23-16-5-3-2-4-6-16)25-20(24-17)26-9-11-27-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,21,22)(H,23,24,25)
InChIKeyVWRFWHHSHQBTKF-UHFFFAOYSA-N
XLogP3.16
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
5-methoxy-N-[6-(6-methyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 71177828
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441
2-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 135433965
N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine
CID 91139873
N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507749

Frequently Asked Questions

What is the IUPAC name of 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine (CID 71177854) is 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine is CNc1ccc(-c2cc(Nc3ccccc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine?
The InChIKey is VWRFWHHSHQBTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-21-18-8-7-15(14-22-18)17-13-19(23-16-5-3-2-4-6-16)25-20(24-17)26-9-11-27-12-10-26/h2-8,13-14H,9-12H2,1H3,(H,21,22)(H,23,24,25).
What are the key properties of 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine?
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine has a molecular weight of 362.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 71177854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).