N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C18H25N7O — CID 172900055

IUPACN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nccc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)n1
InChIInChI=1S/C18H25N7O/c1-14-19-7-3-17(21-14)24-8-4-15(5-9-24)22-16-2-6-20-18(23-16)25-10-12-26-13-11-25/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,20,22,23)
InChIKeyGIGSLCPHTPTHQY-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.49
Rot. Bonds4

About N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172900055) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172900055
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC NameN-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nccc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)n1
InChIInChI=1S/C18H25N7O/c1-14-19-7-3-17(21-14)24-8-4-15(5-9-24)22-16-2-6-20-18(23-16)25-10-12-26-13-11-25/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,20,22,23)
InChIKeyGIGSLCPHTPTHQY-UHFFFAOYSA-N
XLogP1.49
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172900055) is N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1nccc(N2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)n1.
What is the InChIKey of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is GIGSLCPHTPTHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-14-19-7-3-17(21-14)24-8-4-15(5-9-24)22-16-2-6-20-18(23-16)25-10-12-26-13-11-25/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,20,22,23).
What are the key properties of N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172900055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).