5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine

C21H31N5O — CID 56563710

IUPAC5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCC(CC(C)C)N2CCOCC2)c1C
InChIInChI=1S/C21H31N5O/c1-15(2)13-18(26-9-11-27-12-10-26)14-23-20-16(3)17(4)24-21(25-20)19-7-5-6-8-22-19/h5-8,15,18H,9-14H2,1-4H3,(H,23,24,25)
InChIKeyXSXZGWSFSFBBBL-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.31
Rot. Bonds7

About 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine

5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56563710) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56563710
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCC(CC(C)C)N2CCOCC2)c1C
InChIInChI=1S/C21H31N5O/c1-15(2)13-18(26-9-11-27-12-10-26)14-23-20-16(3)17(4)24-21(25-20)19-7-5-6-8-22-19/h5-8,15,18H,9-14H2,1-4H3,(H,23,24,25)
InChIKeyXSXZGWSFSFBBBL-UHFFFAOYSA-N
XLogP3.31
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine (CID 56563710) is 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCC(CC(C)C)N2CCOCC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is XSXZGWSFSFBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-15(2)13-18(26-9-11-27-12-10-26)14-23-20-16(3)17(4)24-21(25-20)19-7-5-6-8-22-19/h5-8,15,18H,9-14H2,1-4H3,(H,23,24,25).
What are the key properties of 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine?
5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 369.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56563710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).