2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

C13H21N5O — CID 117078995

IUPAC2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C13H21N5O/c14-12-1-4-15-13(16-12)18-5-2-11(3-6-18)17-7-9-19-10-8-17/h1,4,11H,2-3,5-10H2,(H2,14,15,16)
InChIKeySWUXKAWFTBILBO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.36
Rot. Bonds2

About 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 117078995) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID117078995
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C13H21N5O/c14-12-1-4-15-13(16-12)18-5-2-11(3-6-18)17-7-9-19-10-8-17/h1,4,11H,2-3,5-10H2,(H2,14,15,16)
InChIKeySWUXKAWFTBILBO-UHFFFAOYSA-N
XLogP0.36
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (CID 117078995) is 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is Nc1ccnc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is SWUXKAWFTBILBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-12-1-4-15-13(16-12)18-5-2-11(3-6-18)17-7-9-19-10-8-17/h1,4,11H,2-3,5-10H2,(H2,14,15,16).
What are the key properties of 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 117078995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).