6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine

C13H22N4O — CID 80764701

IUPAC6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CC(C)OC(C)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-4-5-14-12-6-13(16-9-15-12)17-7-10(2)18-11(3)8-17/h6,9-11H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyDGADAJRTYPULBB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.91
Rot. Bonds4

About 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine

6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 80764701) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
PubChem CID80764701
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CC(C)OC(C)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-4-5-14-12-6-13(16-9-15-12)17-7-10(2)18-11(3)8-17/h6,9-11H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyDGADAJRTYPULBB-UHFFFAOYSA-N
XLogP1.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
CID 104961859
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 104961797
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrazin-2-amine
CID 80764263
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855501
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine (CID 80764701) is 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(N2CC(C)OC(C)C2)ncn1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is DGADAJRTYPULBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-14-12-6-13(16-9-15-12)17-7-10(2)18-11(3)8-17/h6,9-11H,4-5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine?
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80764701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).