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

C14H23N5O — CID 117080877

IUPAC5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cnc(N2CCC(N3CCOCC3)CC2)nc1N
InChIInChI=1S/C14H23N5O/c1-11-10-16-14(17-13(11)15)19-4-2-12(3-5-19)18-6-8-20-9-7-18/h10,12H,2-9H2,1H3,(H2,15,16,17)
InChIKeyVKMBSQPIYICHJI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.67
Rot. Bonds2

About 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 117080877) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID117080877
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cnc(N2CCC(N3CCOCC3)CC2)nc1N
InChIInChI=1S/C14H23N5O/c1-11-10-16-14(17-13(11)15)19-4-2-12(3-5-19)18-6-8-20-9-7-18/h10,12H,2-9H2,1H3,(H2,15,16,17)
InChIKeyVKMBSQPIYICHJI-UHFFFAOYSA-N
XLogP0.67
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (CID 117080877) is 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is Cc1cnc(N2CCC(N3CCOCC3)CC2)nc1N.
What is the InChIKey of 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is VKMBSQPIYICHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-10-16-14(17-13(11)15)19-4-2-12(3-5-19)18-6-8-20-9-7-18/h10,12H,2-9H2,1H3,(H2,15,16,17).
What are the key properties of 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 117080877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).