4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C22H25N5O4 — CID 15550319

IUPAC4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc(OC)c1OC
InChIInChI=1S/C22H25N5O4/c1-28-18-12-16(13-19(29-2)21(18)30-3)25-22-23-7-6-17(26-22)15-4-5-20(24-14-15)27-8-10-31-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,26)
InChIKeyZSQUZDKVWBHHOK-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.14
Rot. Bonds7

About 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 15550319) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID15550319
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc(OC)c1OC
InChIInChI=1S/C22H25N5O4/c1-28-18-12-16(13-19(29-2)21(18)30-3)25-22-23-7-6-17(26-22)15-4-5-20(24-14-15)27-8-10-31-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,26)
InChIKeyZSQUZDKVWBHHOK-UHFFFAOYSA-N
XLogP3.14
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 15550319) is 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is ZSQUZDKVWBHHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-28-18-12-16(13-19(29-2)21(18)30-3)25-22-23-7-6-17(26-22)15-4-5-20(24-14-15)27-8-10-31-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,26).
What are the key properties of 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 423.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 15550319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).