N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine

C12H20N4O — CID 83026553

IUPACN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine
SMILESCc1cc(NN2CCOCC2)nc(C(C)C)n1
InChIInChI=1S/C12H20N4O/c1-9(2)12-13-10(3)8-11(14-12)15-16-4-6-17-7-5-16/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWMCVAXJUOKBFOG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.57
Rot. Bonds3

About N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine

N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine (PubChem CID 83026553) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine
PubChem CID83026553
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine
SMILESCc1cc(NN2CCOCC2)nc(C(C)C)n1
InChIInChI=1S/C12H20N4O/c1-9(2)12-13-10(3)8-11(14-12)15-16-4-6-17-7-5-16/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWMCVAXJUOKBFOG-UHFFFAOYSA-N
XLogP1.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine?
The IUPAC name of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine (CID 83026553) is N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine.
What is the SMILES notation for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine?
The canonical SMILES for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine is Cc1cc(NN2CCOCC2)nc(C(C)C)n1.
What is the InChIKey of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine?
The InChIKey is WMCVAXJUOKBFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)12-13-10(3)8-11(14-12)15-16-4-6-17-7-5-16/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine?
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholin-4-amine is sourced from PubChem (CID 83026553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).